PRODUCTS

BENZOTRIAZOLE

Benzotriazole is used as a corrosion inhibitor, especially for copper in cooling fluids, antifreeze, de-icing agents, and decalcifying tablets.
Benzotriazole is used inhibitor of atmospheric metal corrosion; also component of motion picture film & "Neva" brake fluid.
Benzotriazole serves as a silver protectant in dishwashing detergents.

CAS Number: 95-14-7.
EC Number: 202-394-1.
Name (common / IUPAC): 1,2,3-Benzotriazole (often written benzotriazole, abbreviated BTA)
Main formula: C₆H₅N₃ (empirical molecular formula).
Molar mass (average): ≈ 119.12 g·mol⁻¹

SYNONYMS:
Benzotriazole, 1,2,3-benzotriazole, 1H-benzotriazole, BTA, 1,2,3-triazolo[1,5-a]benzene, 1H-Benzotriazole, Benzotriazole, 95-14-7, 1,2,3-BENZOTRIAZOLE, Azimidobenzene, 1H-1,2,3-Benzotriazole, Aziminobenzene, Benztriazole, Benzisotriazole, Benzene azimide, 2,3-Diazaindole, 1,2-Aminoazophenylene, 1,2,3-Triazaindene, 1,2,-Aminozophenylene, 1,2,3-Triaza-1H-indene, Cobratec 35G, NSC-3058, 1,2,3-1h-benzotriazole, Verzone Crystal, NCI-C03521, DTXSID6020147, U-6233, CHEBI:75331, 86110UXM5Y, DTXCID00147, RefChem:53324, 202-394-1, BT 120, 2H-Benzotriazole, 1H-Benzo[d][1,2,3]triazole, Pseudoazimidobenzene, Cobratec #99, 273-02-9, 2H-benzo[d][1,2,3]triazole, Cobratec 99, 27556-51-0, MFCD00005699, 1H-Benzotriazol, Benzotriazole (VAN), BtaH, Kemitec TT, Rusmin R, Seetec BT, CAS-95-14-7, CCRIS 78, HSDB 4143, EINECS 202-394-1, azaindazole, benzotriazol, BRN 0112133, aza-indazole, UNII-86110UXM5Y, AI3-15984, 3uzj, 1 h-benzotriazole, 1,3-Triazaindene, 0CT, 1,3-Benzotriazole, Cobratec No. 99, 1,2-Aminozophenylene, 1,2,3-Benztriazole, 1H-1,3-Benzotriazole, Benzotriazole fine powder, 1,3-Triaza-1H-indene, 1H-Benzotriazole (VAN8C), EC 202-394-1, WLN: T56 BMNNJ, SCHEMBL4216, SCHEMBL4217, SCHEMBL8956, Benzotriazole Needle Crystal, 1H-BT, SCHEMBL57384, SCHEMBL57385, 4-26-00-00093 (Beilstein Handbook Reference), MLS002302971, CHEMBL84963, SCHEMBL129015, SCHEMBL129444, SCHEMBL130169, SCHEMBL131088, SCHEMBL168014, SCHEMBL171464, SCHEMBL324149, SCHEMBL450459, 1H-benzo-[1,2,3]triazole, 1H-BENZOTRIAZOLE [MI], SCHEMBL1273158, SCHEMBL1273283, SCHEMBL1273311, SCHEMBL1273324, SCHEMBL1487983, SCHEMBL2531655, SCHEMBL15910635, SCHEMBL29381270, BDBM36293, BR1010C, NSC3058, Benzotriazole, analytical standard, HMS3091M10, Benzotriazole, reagent grade, 97%, CS-D1407, HY-Y0688, STR01561, Tox21_201501, Tox21_302934, BDBM50234613, BR1010, MFCD11656662, MSK159039, SBB060070, STL281967, Benzotriazole, ReagentPlus(R), 99%, 1,2,3-BENZOTRIAZOLE [HSDB], 1H-Benzotriazole, >=98.0% (N), AKOS000119181, AKOS025396849, FB01299, PS-3644, NCGC00091322-01, NCGC00091322-02, NCGC00091322-03, NCGC00256574-01, NCGC00259052-01, BP-21454, SMR001252218, DB-022595, MSK159039-1000, B0094, NS00010261, ST51046317, Benzotriazole, Vetec(TM) reagent grade, 98%, EN300-17964, Benzotriazole Solution in Toluene, 1000 µg/mL, D77352, G85866, AB00374479-06, AC-907/34124039, Q220672, Z57127352, F2190-0645, InChI=1/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9), 1H-1,2,3-Benzotriazole, 1H-Benzotriazole, 1,2,3-Benzotriazole, BTA, BtaH, 1,2,3-benzotriazole, BTA, 1H-Benzotriazole, BENZOTRIAZOLE, 1H-Benzotriazole, 1,2,3-benzotriazole, aziminobenzene, benztriazole, benzisotriazole, benzene azimid, 1,2,3-Benzotriazole, 1H-Benzotriazole, Benzotriazol, 1 H -Benzotriazol, 1,2,3-benzotriazole, 1 H ‐1,2,3‐Benzotriazole (IUPAC), BTA, BENZOTRIAZOLE (INCI), BENZOTRIAZOLE, BTA, 1H-Benzo[d][1,2,3]triazole, 1,2,3-BENZOTRIAZOLE, Benzotriazol, 1,2,3-Benztriazole, 1H-Benzotriazol, 1,2,3-Benzotrialole, 1H-1,2,3-BENZOTRIAZOLE, Cobratec, 1,2,-Aminozophenylene, 1,2,3-Benzotriazole, 1,2,3-Triaza-1H-indene, 1,2,3-Triazaindene, 1,2-Aminoazophenylene, 1H-1,2,3-Benzotriazole, 1H-Benzotriazole, 2,3-Diazaindole, Azimidobenzene, Aziminobenzene, Benzene azimide, Benzisotriazole, Benzotriazole, Benzotriazole (VAN), Benztriazole, Cobratec #99, 1,2,3-Benzotriazole, 1,2,3-triaza-1H-indene, 1,2,3-triazaindene, 1,2-aminoazophenylene, 1H-benzotriazole, 2,3-diazaindole, Azimidobenzene, aziminobenzene, benzene azimide, Benzisotriazole, Cobratec 99

Benzotriazole is a chemical substance that is used as a ligand to form complexes.
Benzotriazole is produced by reaction of o-phenylenediamine, sodium nitrite and acetic acid.

Benzotriazole is a complexing agent.
Benzotriazole is a diverse chemical that is critical in the prevention of corrosion in a wide range of applications.
Due to its effectiveness at lower concentration, Benzotriazole is an ideal solution for copper corrosion prevention needs for environments such as waste water treatment and management.

Benzotriazole is a white or tan crystalline powder.
Benzotriazole is an organic chemical with a 1,2,3-triazole structure that is used as a complexing agent.
Benzotriazole is a structurally isomeric compound with which 1H - benzotriazole is in tautomeric equilibrium is 2H - benzotriazole.

Benzotriazole is a heterocyclic compound containing three nitrogen atoms, with the chemical formula C6H5N3.
Benzotriazole is the simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring.
Benzotriazole has a role as an environmental contaminant and a xenobiotic.

Benzotriazole is a white to light tan crystals or white powder.
Benzotriazole is slightly soluble in water.
Benzotriazole is a chemical substance that is used as a ligand to form complexes.

Benzotriazole is a bicyclic nitrogen heterocycle formed by the fusion of the benzene ring with the 4,5-positions or the “d” site of 1H-1,2,3-triazole.
Benzotriazole is also known as 1H-benzo[d]-1,2,3-triazole and exists in two tautomeric 1H- and 2H- forms in which the 1H- form predominates (99.9%) over the 2H- form at room temperature in both gas and solution phases.

Benzotriazole is a very weak base with a pKa of 8.2, but NH is more acidic than indazole, benzimidazole, and 1,2,3-triazoles.
Benzotriazole is quite a stable molecule because the fused benzene ring gives additional strength to the stability of the conjugate base.
Benzotriazole is the simplest member of the benzotriazole class, consisting of a benzene core fused to a 1H-1,2,3-triazole ring.

Benzotriazole is a small heterocyclic aromatic compound formed by the fusion of a benzene ring and a 1,2,3-triazole ring.
Benzotriazole exists mainly as the 1H-tautomer and is a crystalline solid at room temperature.

There are many benzotriazole derivatives (e.g., tolyltriazole, various alkylated or nitro derivatives, benzotriazole UV absorbers) that have distinct properties and environmental/health profiles; make sure you and your suppliers are referring to the exact substance (CAS 95-14-7) when applying regulatory, safety, or formulation guidance.

Benzotriazole appears as white to light tan crystals or white powder.
Benzotriazole has no odor.
Benzotriazole is the simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring.

Benzotriazole has a role as an environmental contaminant and a xenobiotic.
Benzotriazole (BTA) is a heterocyclic compound with the chemical formula C6H4N3H.

Benzotriazole can be viewed as the fusion of a benzene and triazole rings.
Benzotriazole is a white solid, although impure samples can appear tan.

USES and APPLICATIONS of BENZOTRIAZOLE:
Benzotriazole is most commonly used as a corrosion inhibitor for copper and its alloys.
Applications Benzotriazole include: Industrial Water Treatment, Automotive Fluids, Metalworking Fluids, Lubricants, Heat Transfer Fluids, Detergents and Cleaning Agents

Additionally, Benzotriazole is also used as a chemical intermediate to produce UV stabilizers, pharmaceuticals, and other derivatives.
Benzotriazole is used as a corrosion inhibitor, an aircraft deicer and anti-icer fluid as well as for silver protection in dishwashing detergents.

Benzotriazole is used as a corrosion inhibitor, especially for copper in cooling fluids, antifreeze, de-icing agents, and decalcifying tablets.
Benzotriazole is used as a corrosion inhibitor for copper.
Benzotriazole is used inhibitor of atmospheric metal corrosion; also component of motion picture film & "Neva" brake fluid.

Benzotriazole serves as a silver protectant in dishwashing detergents.
In industry, Benzotriazole is used in metalworking coolants.
In photographic developers, Benzotriazole is used to reduce fogging on film.

Benzotriazole derivatives (e.g., 5-methyl-1 H -benzotriazole) are used, for example, as antifreeze, UV filters, in solar cells, or in medical applications.
Benzotriazole is used as an anti-corrosion agent and an anti-fogging agent in developing photographs; also used as a chemical intermediate.

Benzotriazole is used less often as an anti-corrosion agent in metalworking fluids because it is a known skin sensitizer.
Benzotriazole is a corrosion inhibitor widely used for the protection of copper, copper alloys, and other metals.
Benzotriazole forms a strong, wipe- and cleaning-resistant protective film, making it effective in applications such as cooling tower products, engine coolants, metalworking fluids, inks, and cleaners.

Commonly used in water cooling systems, Benzotriazole is also found in automotive antifreeze, dishwasher detergents as a silver polishing agent, and as an antirust additive in photography.
Beyond corrosion inhibition, Benzotriazole derivatives are used in the production of anti-fading agents, antiseptic agents, UV-absorbers, pesticides, and photoconductors.

Benzotriazole also exhibits various bioactive properties, including antihypertensive, antibacterial, analgesic, antifungal, antiviral, and anti-inflammatory effects.
Benzotriazole is used as a corrosion inhibitor for copper, high copper alloys, silver, cobalt, aluminum, and zinc.

Uses of Benzotriazole: Fungicide, Chelating Agents, Antifreeze, Dyes, Inks, Paint Strippers, Rust Inhibitor, Antimicrobial, Chemical Intermediate, Detergents, Grease, Hydraulic Fluids, Metalworking Fluids, Paint & Coatings, Pharmaceuticals, Photographic, Polish, Water Treatment.

Benzotriazole is fairly well water-soluble, not readily degradable and has a limited sorption tendency.
Benzotriazole is used as a restrainer in photographic emulsions and as a reagent for the analytical determination of silver.
More importantly, Benzotriazole has been extensively used as a corrosion inhibitor in the atmosphere and underwater.

Also, Benzotriazole's derivatives and their effectiveness as drug precursors have been drawing attention.
Benzotriazole is used as antifreezes, heating and cooling systems, hydraulic fluids and vapor phase inhibitors as well.
Benzotriazole is an anticorrosive agent, which is useful in aircraft deicing and antifreeze fluids.

Benzotriazole is also employed in dishwasher detergents.
Further, Benzotriazole is used as a restrainer in photographic emulsions and also useful as a reagent for the determination of silver in analytical chemistry.

Benzotriazole also serves as a corrosion inhibitor in the atmosphere and underwater.
Further, Benzotriazole is utilized in the synthesis of amines from glyoxal.
Benzotriazole is a chemical used in a wide variety of industrial, commercial, and consumer products.

Benzotriazole is mainly used as an anticorrosive in metalworking, in art restoration, and as a tarnish remover and protective coating in the construction industry.
In the aircraft industry, Benzotriazole and tolyl benzotriazole are found to be the primary agents in most types of aircraft deicing/antiicing fluid (ADAFs).

Benzotriazole is also used as a component of aircraft deicing fluid, pickling inhibitor in boiler scale removal, restrainer, developer and antifogging agent in photographic emulsions, corrosion inhibitor for copper, chemical intermediate for dyes, in pharmaceuticals, and as fungicide.

Benzotriazole, ethylenediamine tetraacetic acid (EDTA), and potassium iodide (KI) were used for preparing the polishing slurries.
Benzotriazole is an industrial chemical that has a wide range of applications.
Among other things, Benzotriazole is used as corrosion protection for non-ferrous metals in metal processing and in cooling systems and is also incorporated in dishwashing detergents in private (silver protection) and professional areas of application (system protection).

The term benzotriazole covers the three benzotriazoles: 1H-benzotriazole (CAS No. 95-14-7), 4-methyl-1H-benzotriazole (CAS No. 29878-31-7) and 5-methyl-1H-benzotriazole (CAS No. 136-85-6).
A mixture of the last two compounds is also called tolyltriazole.

There are numerous benzotriazole-based clinically used drugs in the market for the treatment of various diseases.
Benzotriazole is used as a corrosion inhibitor for copper and copper alloys from atmospheric as well as immersed conditions.
Diverse pharmacological properties are associated with benzotriazole-based compounds.

For the pharmaceutical industry, this structural motif is highly useful for new drug discovery.
Benzotriazole is widely used industrially because of its strong ability to bind to copper and copper alloys and thereby inhibit corrosion; it also serves as a chemical building block for many derivatives used in photographic, pharmaceutical and polymer chemistry.

Uses & applications of Benzotriazole: Corrosion inhibitor for copper and copper alloys — forms a protective, insoluble complex layer on copper surfaces, widely used in cooling systems, antifreeze, hydraulic fluids, and in conservation/restoration of bronzes.
Benzotriazole is used additive in heat transfer fluids, antifreeze/deicing formulations and metalworking fluids to protect copper components.

Photographic chemistry & analytical reagent — Benzotriazole is historically used as a restrainer in photographic developers and as a reagent for silver analysis.
Intermediate in chemical synthesis — Benzotriazole is used building block for heterocyclic chemistry and for preparing benzotriazole derivatives (used in pharmaceuticals, agrochemicals, and specialty materials).

Benzotriazole is widely used in lubricants, greases, washing and cleaning products, heat transfer fluids, antifreeze products and coating products.
Benzotriazole is used in coolants in refrigerators, oil-based electric heaters, hydraulic fluids in automotive suspension, lubricants in engine oil and brake fluids.

Benzotriazole is used in industry as a processing aid.
Benzotriazole is an anticorrosive agent, which is useful in aircraft deicing and antifreeze fluids.
Benzotriazole is also employed in dishwasher detergents.

Further, Benzotriazole is used as a restrainer in photographic emulsions and also useful as a reagent for the determination of silver in analytical chemistry.
Benzotriazole also serves as a corrosion inhibitor in the atmosphere and underwater.

Further, Benzotriazole is utilized in the synthesis of amines from glyoxal.
Benzotriazole is an anticorrosive agent, which is useful in aircraft deicing and antifreeze fluids.
Benzotriazole is also employed in dishwasher detergents.

Benzotriazole has been used as a restrainer (or anti-fogging agent) in photographic emulsions or developing solutions, and as a reagent for the analytical determination of silver.
More importantly, Benzotriazole has been extensively used as a corrosion inhibitor in the atmosphere and underwater.
Benzotriazole can be used as antifreezes, heating and cooling systems, hydraulic fluids, and vapor-phase inhibitors as well.

-Corrosion inhibition uses of Benzotriazole:
Benzotriazole is a corrosion inhibitor for copper.
It is known that a passive layer, consisting of a complex between copper and benzotriazole, is formed when copper is immersed in a solution containing benzotriazole.

The passive layer is insoluble in aqueous and many organic solutions.
There is a positive correlation between the thickness of the passive layer and the efficiency of preventing corrosion.
Benzotriazole is used in heritage conservation, notably for the treatment of bronze disease

-Environmental relevance:
Benzotriazole is fairly water-soluble, is not readily degraded, and has a limited sorption tendency.
Benzotriazole is only partly removed in wastewater treatment plants and a substantial fraction reaches surface water such as rivers and lakes.

Benzotriazole is of low toxicity and a low health hazard to humans although exhibiting some antiestrogenic properties.
Benzotriazole (and tolyltriazole) is a common "polar organic persistent pollutant", often detected at >0.1 μg/L.
One source of this pollution is their use as anti-icing/deicing agents in airports.

BENEFITS & CHARACTERISTICS (PRACTICAL) of BENZOTRIAZOLE:
*Efficient copper passivation:
Benzotriazole forms a compact molecular film on copper that reduces corrosion rates significantly and is stable in many aqueous/organic environments.

*Chemical stability:
Benzotriazole is relatively stable (aromatic heterocycle) and can survive many processing conditions, making it a convenient additive or intermediate.

*Versatile derivative chemistry:
The Benzotriazole core can be functionalized at several positions to yield derivatives with tailored properties (e.g., UV-stabilizers, corrosion inhibitors, ligands).

STRUCTURE AND SYNTHESIS of BENZOTRIAZOLE:
Benzotriazole features two fused rings.
Benzotriazole can in principle exist as tautomers, but X-ray crystallography establishes the depicted structure.
The N=N and HN-N distances are 1.306 and 1.340 Å.
Benzotriazole can be prepared by the monodiazotization of o-phenylenediamine using sodium nitrite and acetic acid.

REACTIONS of BENZOTRIAZOLE:
*Acid-base behavior
Benzotriazole is a weak Bronsted acid with a pKa = 8.2.
Benzotriazole is a weak Brønsted base, as indicated by the low pKa < 0 of its conjugate acid, [HBTA]+.
Benzotriazole is also a Lewis base, binding Lewis acids at the C-N=N center.

A variety of coordination complexes are known such as the tetrahedral 2:1 derivative with zinc chloride, ZnCl2(BTA)2.
In some complexes, Benzotriazole binds metals as its conjugate base forming polymers and oligomers.
Benzotriazole binds to copper surfaces, serving as a corrosion inhibitor.

*N-alkylation
Deprotonation of Benzotriazole followed by treatment with alkyl halides gives a mixture of 1- and 2-alkyl derivatives.
Aromatic aldehydes (ArCHO) in the presence of ethanol gives benzotriazole-based N,O-acetals:
ArCHO + BtH + EtOH → ArCH(OEt)(Bt) + H2O.

These acetals are susceptible to deprotonation, giving access to acylsilanes and acylboranes.
N-amination of Benzotriazole with hydroxylamine-O-sulfonic acid gives 1-aminobenzotriazole.
Oxidation of this amine with lead(IV) acetate affords benzyne, which rapidly dimerises to biphenylene.

DERIVATIVES of BENZOTRIAZOLE:
Many modifications of benzotriazole have been reported.
Alizapride is a commercial drug containing a benzotriazole ring system.

Tolyltriazole is a mixture of isomers or congeners that differ from benzotriazole by the addition of one methyl group attached somewhere on the benzene ring.
Tolyltriazole has similar uses, but has higher solubility in some organic solvents

CLASS of BENZOTRIAZOLE:
UV Absorbers, Curing Agents and Antioxidant Compounds, Drilling and Completion Fluids, Corrosion Inhibitors, Commercial Chemicals, Drilling Fluid Additives

FUNCTION of BENZOTRIAZOLE:
*Intermediates,
*Drilling Fluid Additives,
*Anti-Corrosive

INDUSTRY of BENZOTRIAZOLE:
*Industrial Drilling,
*Oil and Gas Production,
*Drilling Fluid,
*Fracking,
*Hydraulic Fracturing

SOLUBILITY of BENZOTRIAZOLE:
Benzotriazole is soluble in water, benzene, toluene, chloroform, ethanol and N,N-dimethylformamide.

NOTES of BENZOTRIAZOLE:
Store Benzotriazole in a cool place.
Benzotriazole is incompatible with strong oxidizing agents and heavy metals.

SPECIFICATIONS of BENZOTRIAZOLE:
Physical and Chemical Properties
» Benzotriazole appears as white to light tan crystals or white powder.
» Benzotriazole is odorless.

Benzotriazole is delivered as white to yellowish fine granules, widely utilized as a corrosion inhibitor for copper and its alloys.
Benzotriazole prevents oxidation and deterioration in cooling water systems, metalworking fluids, and other industrial processes, extending equipment life and improving system reliability.

Its granular form allows for easy handling and incorporation into various formulations, making Benzotriazole a preferred choice in metal protection solutions

CHARACTERISTICS of BENZOTRIAZOLE:
Benzotriazole is a white, crystalline powder which, after purification by repeated sublimation under high vacuum, melts at 100.5 °C.
Benzotriazole crystallizes in a monoclinic crystal lattice.

The vapor pressure relevant for sublimation lies between 90 mPa and 640 mPa in the temperature range between 53.4 °C and 71.7 °C and can be described by the equation lg(p/Pa) = 5159.5(T/K) −1  + 14.77.

The sublimation enthalpy is Δ sub H = 98.15 kJ/mol at 25 °C and Δ sub H = 96.30 kJ/mol at 63.4 °C.
Benzotriazole decomposes strongly exothermically above its melting point.

Distillation of Benzotriazole is therefore not advisable.
A source from 1956 reports explosive decomposition of a one-ton batch during distillation at 160 °C and 2.5 hPa.
A thermoanalytical investigation showed a decomposition reaction starting at 240 °C with a very high reaction enthalpy of −1590 kJ/kg.

Despite the high heat of decomposition, the compound is not explosive according to the German Explosives Act, since none of the tests relevant for classification, such as the BAM 50/60 steel tube test or the Koenen test (with a 1 mm nozzle plate bore: Type O), produced a positive result.

A tautomeric equilibrium can be formulated between 1 H -benzotriazole and 2 H -benzotriazole.
However, experimental measurements and quantum chemical calculations show that in the solid phase as well as in solution, this equilibrium lies practically on the side of 1 H -benzotriazole.

This is the energetically more favorable tautomer.
In the photochemically excited triplet state, however, the 2 H -tautomer is energetically favored and more stable.

Benzotriazole possesses amphiprotic properties, meaning it can be protonated in acidic media and deprotonated in basic media.
The protonation constants are pK a1 = 0.42 and pK a2 = 8.27.

EXTRACTION AND PRESENTATION of BENZOTRIAZOLE:
The preparation is carried out by ring-closing diazotization of o -phenylenediamine with nitrite and (acetic) acid.

SYNTHESIS of BENZOTRIAZOLE:
There are numerous methods for the synthesis of benzotriazole but only the important and general routes of this ring system are depicted here.
o-Phenylenediamine on treatment with NaNO2 in acetic acid undergoes intramolecular cyclization to yield benzotriazoles.

Dehydrobenzene (benzyne) generated in situ by a slow addition of anthranilic acid to an alkyl nitrite followed by addition of alkyl, aryl, and acyl or sulfonyl azides afforded benzotriazoles.
1-Chloro-2-nitrobenzene or 1,2-dinitrobenzene on reaction with hydrazine produced benzotriazol-1-ol via 2-nitrophenylhydrazine.

The reaction of 1,3-dihydrobenzimidazol-2-one with sodium nitrite and water under high temperature (190– 300°C) and pressure afforded 1-sodium benzotriazole, which on acid treatment gave 1H-benzotriazole in high yields.

An alternative way to prepare N-aryl benzotriazole has been reported by treating a diazotized solution derived from 2-chloroaniline with aryl amine followed by intramolecular cyclization in the presence of CuI and CsCO3.

PHYSICAL PROPERTIES of BENZOTRIAZOLE:
Benzotriazole is a white sold with an mp of 100°C,
a bp of 350°C,
a density 1.36 g/cm3 ,
and is soluble in water.
UV (EtOH), λnm (ε): 259 (3.75), 275 (3.71).
1 H NMR (DMSO-d6 ), δ (ppm): C4 –H, 8.00; C5 –H, 7.44; C6–H, 7.44; C7 –H, 8.0.
13C NMR (DMSO-d6 ), δ (ppm): C4 , 130.3; C5 , 130.3; C6 , 130.3; C7, 130.3.

CHEMICAL REACTIVITY of BENZOTRIAZOLE:
Electrophilic substitution reactions in benzotriazoles are facile at the N1 - and N2 -positions as well as at position 4 of the benzene ring.

*Alkylation
Reaction of 1H-benzotriazole with different methylating agents such as methyl sulfate, diazomethane, and methyl halide gave a mixture of 1-methyl- and 2-methylbenzotriazole in the ratio of 5:17.
Alkylation of Benzotriazole with alkyl halide using NaOH or NaOEt as a base gave 1-alkylbenzotriazole as a major product and 2-alkylbenzotriazole and 1,3-dialkylbenzotriazolium salts as minor products.

*Sulfonation
Benzotriazole on reaction with trifluoromethanesulfonic anhydride in dry DCM and dry pyridine at −78°C afforded 1-(trifluoromethyl)sulfonyl-1H-benzotriazole in 87% yields.

*N-Amination
Treatment of Benzotriazole with hydroxylamine-O-sulfonic acid in hot aqueous potassium hydroxide at 70– 75°C gave a mixture of 1H-benzotriazol-1-amine and 2H-bezotriazol-2-amine in a 3:1 ratio.

*Nitration
Benzotriazole has been nitrated with a mixture of concentrated nitric acid and sulfuric acid at room temperature to give 4-nitro-1H-benzotriazole in 50% yields.

PREPARATION of BENZOTRIAZOLE:
Benzotriazole is prepared by the reaction of o-phenylenediamine with nitrous acid in dilute sulfuric acid.
Damschrodner and Peterson were able to synthesize the benzotriazole in a high yield (80%) by nitrosation of o-phenylenediamine with sodium nitrite in glacial acetic acid and water.

Synthesis of Benzotriazole via diazotization of o-phenylenediamine
Synthesis of Benzotriazole via diazotization of o-phenylenediamine

REACTION of BENZOTRIAZOLE:
Add o-phenylenediamine to 50°C water to dissolve, then add glacial acetic acid, cool down to 5°C, add sodium nitrite to stir the reaction.

The reactant gradually turned dark green, the temperature rose to 70-80 ℃, the solution turned orange-red, placed at room temperature for 2 hours, cooled, filtered out the crystals, washed with ice water, dried to obtain the crude product, the crude product was distilled under reduced pressure, and collected 201 -204°C (2.0kPa) fraction, and then recrystallized with benzene to obtain Benzotriazole products with a melting point of 96-97°C, with a yield of about 80%.

PURIFICATION METHODS of BENZOTRIAZOLE:
Benzotriazole crystallises from toluene, CHCl3, Me2NCHO or a saturated aqueous solution, and is dried at room temperature or in a vacuum oven at 65°C.
Losses are less if Benzotriazole is distilled in a vacuum.

CHEMICAL PROPERTIES of BENZOTRIAZOLE:
Benzotriazole is a yellow to beige solid or colorless needle-like crystals.
Benzotriazole is slightly soluble in cold water, ethanol and ether.

SYNTHESIS of BENZOTRIAZOLE:
Benzotriazole Sized
Benzotriazole is synthesized by diazotization of ortho-phenylenediamine with nitrous acid.
Commercial production typically requires high pressure reaction followed by additional processing and purification.

ADVANTAGES of BENZOTRIAZOLE IN CORROSIVE ENVIRONMENTS:
Benzotriazole is highly effective at very low concentrations with recommended dosage in the part-per-million range.
Benzotriazole reacts with copper containing metals to form a long-lasting insoluble film that prevents oxidation of the metal surface.
Benzotriazole reacts with soluble copper ions, to prevent galvanic corrosion and copper induced pitting of dissimilar metals.

COMMON FORMS of BENZOTRIAZOLE:
The most common form of benzotriazole is a solid flake, with other forms including granular, fine powder, and crystalline needles.
Many users prefer liquid forms for safety and ease of handling, such as sodium benzotriazole in water, or benzotriazole dissolved in glycols, alcohols, or esters.

PHYSICAL CHARACTERISTICS of BENZOTRIAZOLE:
Benzotriazole is a white to light yellow solid with a chemical formula of C6H5N3.
Molecular Weight: 119.13 g/mol
Density: 1.36 g/cm3 at 20°C
Melting Point: 98.5°C
Boiling Point: 204°C
Solubility Limit in Water: 2% or 20 g/L
pH: Benzotriazole is a weak acid with a pKa of 8.2

SHELF LIFE AND STABILITY of BENZOTRIAZOLE:
Benzotriazole has a shelf-life of five years or longer if stored correctly.
Benzotriazole should be stored in sealed containers, in a cool, dry, ventilated area away from any heat source.
Temperature, moisture, and other adverse conditions can shorten the life of Benzotriazole.

PHYSICAL and CHEMICAL PROPERTIES of BENZOTRIAZOLE:
Chemical formula: C6H5N3
Molar mass: 119.127 g·mol−1
Appearance: White solid
Density: 1.369 g/cm³
Melting point: 100 °C (212 °F; 373 K)
Boiling point: 350 °C (662 °F; 623 K)
Solubility in water: 20 g/L
Acidity (pKa): 8.2
Basicity (pKb): > 14

Product: Benzotriazole
CAS: 95-14-7
Formula: C6H5N3
Sparingly Soluble: in water
Ash: 0.05% Max
Melting Point: 95-98.5 °C
Moisture(105°C, 2h): 0.1% Max
Sensoric: Needle-like Powder
Molecular Weight (theoretical): 119.12

Assay %: 99.0 % Min
Odor: odorless
Molecular weight: 119.12
Flash Point: 110 °C
Solubility: alcohol, benzene, toluene, chloroform,
DMF, most organic solvents
Boiling Point: 204 °C (15 mmHg)
CAS: 95-14-7
IUPAC Name: 2H-1,2,3-benzotriazole
Molecular Formula: C6H5N3

InChI Key: QRUDEWIWKLJBPS-UHFFFAOYSA-N
SMILES: N1N=C2C=CC=CC2=N1
Molecular Weight (g/mol): 119.13
Synonym: 2H-benzotriazole
Form: Powder or crystals or granules or needles or flakes
Assay (GC): ≥98.5% (UK sourced material)
Appearance (Color): White to cream to yellow to pale brown
Assay (Aqueous acid-base Titration): ≥98.5 to ≤101.5% (UK sourced material)
Comment: Material sourced in UK or US

Assay from Supplier's CofA: ≥98.5% (GC, US sourced material)
Melting Point (clear melt): 94-100°C
Identification (FTIR):
Molecular Weight: 119.12 g/mol
XLogP3-AA: 1
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 0
Exact Mass: 119.048347172 Da
Monoisotopic Mass: 119.048347172 Da
Topological Polar Surface Area: 41.6 Å²

Heavy Atom Count: 9
Formal Charge: 0
Complexity: 92.5
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Name (common / IUPAC): 1,2,3-Benzotriazole (often written benzotriazole, abbreviated BTA)
CAS No.: 95-14-7
EC / EINECS No.: 202-394-1
Main formula: C₆H₅N₃ (empirical molecular formula)
Molar mass (average): ≈ 119.12 g·mol⁻¹
Appearance: white to off-white crystalline solid (impure samples may be tan)
Molecular formula / molar mass: C₆H₅N₃, 119.12 g·mol⁻¹
Melting point: ≈ 97–100 °C (literature values)
Boiling point: reported under reduced pressure (e.g., ~204 °C at 15 mmHg); decomposes before normal-pressure boiling

Density: ~1.36 g·cm⁻³ (solid)
Water solubility: moderately soluble; reported around ~19 g·L⁻¹ at 20 °C (solubility depends on polymorph and temperature)
pKa / acid–base behaviour: benzotriazole acts as a weak Brønsted acid/base system — reported pK_a (conjugate acid) values and protonation behaviour indicate it is only weakly basic (reported pK_a values around ~8.2 for protonation equilibria in some sources)
Molecular Weight: 119.12 g/mol
XLogP3-AA: 1
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 0
Exact Mass: 119.048347172 Da

Monoisotopic Mass: 119.048347172 Da
Topological Polar Surface Area: 41.6 Å²
Heavy Atom Count: 9
Formal Charge: 0
Complexity: 92.5
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0

Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Empirical Formula (Hill Notation): C6H5N3
CAS Number: 95-14-7
Molecular Weight: 119.12
Beilstein: 112133
EC Number: 202-394-1
MDL number: MFCD00005699
UNSPSC Code: 12352100
PubChem Substance ID: 57653915

NACRES: NA.21
Physical state: powder
Color: No data available
Odor: No data available
Melting point/freezing point: Melting point/range: 97 - 99 °C - lit.
Initial boiling point and boiling range: No data available
Flammability (solid, gas): No data available
Upper/lower flammability or explosive limits: No data available
Flash point: 170 °C - closed cup
Autoignition temperature: No data available
Decomposition temperature: No data available
pH: No data available

Viscosity: Viscosity, kinematic: No data available;
Viscosity, dynamic: No data available
Water solubility: 19 g/l at 25 °C - soluble
Partition coefficient: n-octanol/water: log Pow: 1,34 - Bioaccumulation is not expected
Vapor pressure: No data available
Density: 1,36 g/cm3 at 20 °C
Relative density: No data available
Relative vapor density: No data available
Particle characteristics: No data available
Explosive properties: No data available

Oxidizing properties: none
Other safety information: No data available
CBNumber: CB4467102
Molecular Formula: C6H5N3
Molecular Weight: 119.12
MDL Number: MFCD00005699
MOL File: 95-14-7.mol
Melting point: 97-99 °C (lit.)
Boiling point: 204 °C (15 mmHg)
Density: 1,36 g/cm3
Bulk density: 500 kg/m3

Vapor density: 4.1 (vs air)
Vapor pressure: 0.04 mm Hg (20 °C)
Refractive index: 1.5589 (estimate)
Flash point: 170 °C
Storage temp.: Store below +30°C
Solubility: 19 g/l
Form: Powder, Granules, Crystals, Needles or Flakes
pKa: 1.6 (at 20℃)
Color: White to yellow-beige
Odor: Slight characteristic odor
pH: 6.0-7.0 (100 g/l, H2O, 20℃) suspension

Explosive limit: 2%
Water Solubility: 25 g/l in water (20 ºC)
Merck: 14,1108
BRN: 112133
Stability: Stable, but may be light sensitive.
Incompatible with strong oxidizing agents, heavy metals
InChIKey: QRUDEWIWKLJBPS-UHFFFAOYSA-N
LogP: 1.34 at 22.7℃
Indirect Additives used in Food Contact Substances: BENZOTRIAZOLE
CAS DataBase Reference: 95-14-7 (CAS DataBase Reference)
EWG's Food Scores: 1

FDA UNII: 86110UXM5Y
NIST Chemistry Reference: 1H-Benzotriazole (95-14-7)
EPA Substance Registry System: 1,2,3-Benzotriazole (95-14-7)
UNSPSC Code: 41116107
NACRES: NA.24
Molecular Formula / Molecular Weight: C6H5N3 = 119.13
Physical State (20 deg.C): Solid
Storage Temperature: Room Temperature (Recommended in a cool and dark place, <15°C)
CAS RN: 95-14-7
Reaxys Registry Number: 112133
PubChem Substance ID: 87563293
SDBS (AIST Spectral DB): 1529
Merck Index (14): 1108
MDL Number: MFCD00005699

FIRST AID MEASURES of BENZOTRIAZOLE:
-Description of first-aid measures
*General advice:
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
After inhalation:
Fresh air.
*In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with
water/ shower.
*In case of eye contact:
After eye contact:
Rinse out with plenty of water.
Call in ophthalmologist.
Remove contact lenses.
*If swallowed:
After swallowing:
Immediately make victim drink water (two glasses at most).
Consult a physician.
-Indication of any immediate medical attention and special treatment needed.
No data available

ACCIDENTAL RELEASE MEASURES of BENZOTRIAZOLE:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Observe possible material restrictions.
Take up dry.
Dispose of properly.
Clean up affected area.

FIRE FIGHTING MEASURES of BENZOTRIAZOLE:
-Extinguishing media:
*Suitable extinguishing media:
Carbon dioxide (CO2)
Foam
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.

EXPOSURE CONTROLS/PERSONAL PROTECTION of BENZOTRIAZOLE:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
Safety glasses
*Body Protection:
protective clothing
*Respiratory protection:
Recommended Filter type: Filter A
-Control of environmental exposure:
Do not let product enter drains.

HANDLING and STORAGE of BENZOTRIAZOLE:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.
Dry.

STABILITY and REACTIVITY of BENZOTRIAZOLE:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature).
-Possibility of hazardous reactions:
No data available