HEXACHLOROBENZENE

Hexachlorobenzene is used to preserve wood and dress seeds, and in the manufacture of hexafluorobenzene.
Hexachlorobenzene is used in organic syntheses.
Hexachlorobenzene is also used in pyrotechnic fume extinguishing agents; volatile HCB makes the white smoke denser and releases chloride ions when it decomposes at high temperatures.

CAS Number: 118-74-1
EC Number: 204-273-9
Molecular Formula: C₆Cl₆
Molecular Weight: 284.78 g/mol

SYNONYMS:
Hexachlorobenzene, HCB, Perchlorobenzene, Benzene Hexachloride (obsolete and potentially confusing), Hexa-PCB, Perchlorobenzol, Hexachlorobenzol, HCBZ, Hexachlorobenzene, Perchlorobenzene, HCB, Julin's chloride of carbon, PERCHLOROBENZENE,NO BUNT,BUNT-CURE(R),BUNT-NO-MORE(R),Benzene,1,2,3,4,5,6-hexachloro-,Hexachlorobenzene 1g [118-74-1],Hexachlorobenzene 5g [118-74-1],Hexachlorobenzene (Hummel), HEXACHLOROBENZENE, Perchlorobenzene, 118-74-1, Anticarie, Bunt-cure, Bunt-no-more, Sanocide, Amatin, 1,2,3,4,5,6-Hexachlorobenzene, Phenyl perchloryl, Hexachlorbenzol, Benzene, hexachloro-, Snieciotox, NO Bunt liquid, Esaclorobenzene, Smut-Go, Sanocid, NO Bunt, Julin's carbon chloride, CO-OP Hexa, Granox NM, Granox, Saatbeizfungizid, NO Bunt 40, NO Bunt 80, Pentachlorophenyl chloride, Voronit C, Hexa C.B., Hexa CB, CEKU C.B., Caswell No. 477, DTXSID2020682, ENT-1719, 4Z87H0LKUY, AI 3.01719, NSC-9243, DTXCID80682, CHEBI:5692, NSC9243, Pentachlorophenylchloride, RefChem:5882, 204-273-9, HCB, Rcra waste number U127, Hexachlorobenzene [BSI:ISO], Hexcachlorbenzen, Julin's chloride, NSC 9243, MFCD00000540, 1,2,3,4,5,6-hexachloro-benzene, Benzene, 1,2,3,4,5,6-hexachloro-, s anocide, Hexachlorbenzol [German], C6Cl6, Esaclorobenzene [Italian], Saatbeizfungizid [German], Hexachlorobenzene, analytical standard, hexa c.b, CCRIS 325, Ceku C.B, Hexachlorobenzene 100 microg/mL in Methanol, HSDB 1724, Hexachlorobenzene [ISO], Julian's carbon chloride, EINECS 204-273-9, UN2729, RCRA waste no. U127, UNII-4Z87H0LKUY, EPA Pesticide Chemical Code 061001, BRN 1912585, hexachloro-benzene, Hexachlorobenzene [UN2729] [Poison], Hexachlorbenzol(german), Julen's carbon chloride, SCHEMBL26562, 4-05-00-00670 (Beilstein Handbook Reference), BIDD:ER0320, HEXACHLOROBENZENE [MI], CHEMBL228514, HEXACHLOROBENZENE [HSDB], HEXACHLOROBENZENE [IARC], HEXACHLOROBENZENE [MART.], WLN: GR BG CG DG EG FG, MSK21273, Tox21_202995, AKOS001076004, UN 2729, Hexachlorobenzene [UN2729] [Poison], NCGC00166224-01, NCGC00260540-01, CAS-118-74-1, DB-030645, H0053, NS00010702, EN300-18442, Hexachlorobenzene 10 microg/mL in Cyclohexane, Hexachlorobenzene 100 microg/mL in Isooctane, Hexachlorobenzene 10 microg/mL in Acetonitrile, Q409682, Hexachlorobenzene, PESTANAL(R), analytical standard, ED10ADC2-A7A7-431F-96D9-BEC65F8D2C6A, Z57964436, AI3-01719, Amatin, Anticarie, Bunt-cure, Bunt-no-more, Caswell No. 477, Granox, HCB, BHC, Benzene hexachloride, Julin's carbon chloride, Pentachlorophenyl chloride, Perchlorobenzene, Phenyl perchloryl, Sanocide, Smut-go, Snieciotox, Voronit C, EPA Pesticide Code: 061001, Benzene, 1,2,3,4,5,6-hexachloro-, Benzene, hexachloro- (8CI,9CI), 1,2,3,4,5,6-Hexachlorobenzene, Amatin, Anticarie, BHC, Bunt-cure, Bunt-no-more, Co-op Hexa, HCB, HCB (pesticide), Hexachlorobenzene, Julin's carbon chloride, NSC 9243, No Bunt, No Bunt 40, No Bunt 80, No Bunt Liquid, Pentachlorophenyl chloride, Perchlorobenzene, Sanocide, Snieciotox, Zaprawa nasienna sneciotox, HCB

Hexachlorobenzene appears as a white crystalline substance.
Hexachlorobenzene is insoluble in water and denser than water.
Hexachlorobenzene is a fumigant fungicide.

Hexachlorobenzene has a low aqueous solubility and is volatile with a low potential for leaching to groundwater.
Hexachlorobenzene, or perchlorobenzene, is an aryl chloride and a six-substituted chlorobenzene with the molecular formula C6Cl6.
Hexachlorobenzene is a fungicide formerly used as a seed treatment, especially on wheat to control the fungal disease bunt.

Hexachlorobenzene is a white crystalline solid.
Hexachlorobenzene does not occur naturally.
Hexachlorobenzene is formed as a by-product during the manufacture of chemicals used as solvents (substances used to dissolve other substances), other chlorine-containing compounds, and pesticides.

Small amounts of hexachlorobenzene can also be produced during combustion processes such as burning of city wastes.
Hexachlorobenzene may also be produced as a by-product in waste streams of chlor-alkali and wood-preserving plants.
Hexachlorobenzene is a white powder

Hexachlorobenzene is a solid, crystallizing in needles.
Hexachlorobenzene is a colourless crystalline compound, C6Cl6; m.p.227°C.
Hexachlorobenzene is made by the chlorination of benzene with an iron(III) chloride catalyst or by treating hexachlorocyclohexane with chlorine in hexachloroethane.

Hexachlorobenzene is a member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines.
Hexachlorobenzene is an agricultural fungicide introduced in the mid-1940s and formerly used as a seed treatment.
Hexachlorobenzene appears as a white crystalline substance.

Hexachlorobenzene is insoluble in water and denser than water.
Hexachlorobenzene is formed as a byproduct during the manufacture of other chemicals.
Hexachlorobenzene is a stable, white, crystalline substance that has been used as a fungicide and in the manufacture of dyes, organic chemicals, rubber, and wood preservation.

Hexachlorobenzene (HCB) is a fully chlorinated aromatic hydrocarbon belonging to the organochlorine compound family.
With six chlorine atoms replacing all hydrogen atoms on a benzene ring, Hexachlorobenzene is an exceptionally stable, hydrophobic, and persistent chemical.
Hexachlorobenzene was initially known as "Julin's carbon chloride" because it was discovered as a strange and unexpected product of reacting impurities at the Julin Nitric Acid Factory in Turku, Finland.

In 1864 , Hugo Müller synthesized Hexachlorobenzene by the reaction of benzene and antimony pentachloride and subsequently suggested that his compound was identical to Julin's carbon chloride.
Müller had previously believed it to be the same compound as Michael Faraday's carbon perchloride ( hexachloroethane ) and took a small sample of Julin's carbon chloride to send to Richard Phillips and Faraday for examination.

In 1867, Henry Bassett proved that the chemical he obtained by the reaction of benzene with antimony pentachloride was the same compound as Julin's carbon chloride and named it "hexachlorobenzene".
Leopold Gmelin named Hexachlorobenzene he described as "carbon dichloride" and found an explanation for its formation at Julin's factory; the carbon came from cast iron and the chlorine from impurities in raw saltpeter .

Victor Regnault obtained hexachlorobenzene by passing chloroform and tetrachloroethylene vapors through a heated tube containing porcelain pieces and then decomposing them.
Hexachlorobenzene is a stable, white, crystalline chlorinated hydrocarbon.
Hexachlorobenzene was used as a fungicide and was also used as a chemical intermediate in the manufacture of dyes, synthesis of organic chemicals, rubber and in wood preservation.

Hexachlorobenzene is an agricultural fungicide, belonging to the family of Chlorobenzenes.
These are compounds containing a chlorine atom attached to a benzene moiety.
Hexachlorobenzene is a byproduct formed in the manufacture of solvents and pesticides.

Hexachlorobenzene, or perchlorobenzene , has the molecular formula C6Cl6.
Hexachlorobenzene is an organochlorine and a derivative of benzene in which all the hydrogen atoms have been replaced by chlorine.
Hexachlorobenzene is a stable solid consisting of white crystals.

USES and APPLICATIONS of HEXACHLOROBENZENE:
Additional historical industrial uses included: Rubber chemical manufacture, Dye production, Pyrotechnic compositions, Explosives manufacture, Wood preservation, Solvent production, Chlorinated chemical intermediate, Metallurgical processes, Industrial catalyst applications.
Today, most intentional commercial uses have been prohibited or severely restricted internationally.

Industrial applications of Hexachlorobenzene: Although direct commercial use has largely ended, Hexachlorobenzene continues to appear as an unintended by-product during: Chlorinated solvent production, Chlor-alkali operations, Waste incineration, Metal smelting, Pesticide manufacturing, Industrial chlorination processes.
Historically, Hexachlorobenzene was primarily used as a fungicide, especially for protecting cereal seeds from fungal diseases such as bunt of wheat.

For many years, Hexachlorobenzene served as an effective agricultural fungicide because of its long-lasting protective action.
Hexachlorobenzene was used in agriculture to control the fungus tilletia caries (common bunt of wheat).
Hexachlorobenzene is also effective on tilletia controversa, dwarf bunt.

Hexachlorobenzene was introduced in 1947, normally formulated as a seed dressing but is now banned in many countries.
A minor industrial phloroglucinol synthesis nucleophilically substitutes hexachlorobenzene with alkoxides, followed by acidic workup.
Hexachlorobenzene was widely used as a pesticide to protect the seeds of onions and sorghum, wheat, and other grains against fungus until 1965.

Hexachlorobenzene was also used to make fireworks, ammunition, and synthetic rubber.
Currently, there are no commercial uses of hexachlorobenzene in the United States.
Hexachlorobenzene is a white crystalline solid that is not very soluble in water.

Hexachlorobenzene does not occur naturally in the environment.
Hexachlorobenzene is formed as a by-product while making other chemicals, in the waste streams of chloralkali and wood-preserving plants, and when burning municipal waste.
Hexachlorobenzene is used to make other chemicals.

Hexachlorobenzene is used to preserve wood and dress seeds, and in the manufacture of hexafluorobenzene.
Hexachlorobenzene was widely used as a pesticide until 1965.
Hexachlorobenzene was also used to make fireworks, ammunition, and synthetic rubber.

Hexachlorobenzene is used in organic syntheses.
Hexachlorobenzene was formerly used as an agricultural fungicide.
Hexachlorobenzene was widely used as a pesticide until 1965.

Hexachlorobenzene was formerly used as a fungicide, pesticide, wood preservative, and in the production of rubber, aluminum, and dyes.
In the past, hexachlorobenzene was widely used as a pesticide for protecting onion and sorghum seeds, as well as in the production of fireworks, ammunition, and synthetic rubber.
Historically, Hexachlorobenzene was widely used as a fungicide for seed treatment, particularly for wheat and other cereal crops, and it has also served as an industrial intermediate in the production of rubber chemicals, dyes, pyrotechnics, and chlorinated solvents.

The fungicidal effect of hexachlorobenzene was discovered in 1945.
In the past, Hexachlorobenzene was used as a pesticide against fungal diseases in cereals and as a disinfectant in grain storage facilities, and was also added to wood preservative formulations.
Hexachlorobenzene was used to control the fungal species tilletia caries and tilletia controversa , which are commonly found in wheat .

Hexachlorobenzene was introduced for this use in 1947 and formulated as a seed preservative.
Hexachlorobenzene also has a flame-retardant effect and was used in wood and fireplace linings, plastics, electrical insulation and paper until the 1950s.

Hexachlorobenzene is also used in pyrotechnic fume extinguishing agents; volatile HCB makes the white smoke denser and releases chloride ions when it decomposes at high temperatures.
Other applications of Hexachlorobenzene include as a plasticizer for PVC , a peptider in rubber production , a stabilizer in the paint and plastics industry, a porosity control agent in electrode production and a fluxing agent in aluminum smelting.

-Uses of Hexachlorobenzene: Seed fungicide:
Hexachlorobenzene is used as a fungicide and as an intermediate in organic synthesis.
Hexachlorobenzene was also used as a chemical intermediate in dye manufacturing, in the synthesis of other organic chemicals, and in the production of pyrotechnic compositions for the military.
Hexachlorobenzene was used as a raw material for synthetic rubber, as a plasticizer for polyvinyl chloride, as a porosity controller in the manufacture of electrodes, and as a wood preservative.

-Historical agricultural applications of Hexachlorobenzene:
Hexachlorobenzene gained worldwide importance because of its effectiveness against fungal diseases affecting seeds.
Advantages of Hexachlorobenzene historically included:
Long-lasting seed protection,
Effective fungal control,
Good storage stability,
Easy formulation.

BENEFITS AND ADVANTAGES (HISTORICAL) of HEXACHLOROBENZENE:
Historically, Hexachlorobenzene offered several technical advantages.
These included:
Excellent chemical stability.
Long-lasting activity.
High thermal resistance.
Effective fungicidal performance.
Good storage life.
Low volatility.
Industrial versatility.

CHARACTERISTICS of HEXACHLOROBENZENE:
Hexachlorobenzene is a white crystalline fully chlorinated aromatic hydrocarbon that combines exceptional chemical stability with extreme environmental persistence.
Its complete chlorination produces outstanding thermal stability, low volatility, high lipophilicity, and remarkable resistance to degradation, making Hexachlorobenzene historically valuable as a fungicide and industrial intermediate.

PHYSICAL AND CHEMICAL PROPERTIES of HEXACHLOROBENZENE:
Hexachlorobenzene is a white crystalline solid with a highly symmetrical aromatic structure in which all six hydrogen atoms of benzene have been replaced by chlorine atoms.
This complete chlorination produces exceptional chemical stability, high lipophilicity, extremely low water solubility, and remarkable environmental persistence.
Unlike many organic solvents, Hexachlorobenzene is essentially nonvolatile at ordinary temperatures, although it possesses sufficient vapor pressure to undergo long-range atmospheric transport.

Hexachlorobenzene is a stable, white, crystalline chlorinated hydrocarbon.
Hexachlorobenzene is sparingly soluble in organic solvents such as benzene, diethyl ether and alcohol, but practically insoluble in water with no reaction.
Hexachlorobenzene has a flash point of 468 °F and it is stable under normal temperatures and pressures.
When heated to decomposition, hexachlorobenzene emits highly toxic fumes of hydrochloric acid, other chlorinated compounds (such as phosgene), carbon monoxide, and carbon dioxide.

CHEMICAL PROPERTIES of HEXACHLOROBENZENE:
Hexachlorobenzene is one of the most chemically stable chlorinated aromatic compounds.
Important chemical characteristics of Hexachlorobenzene include:
Fully chlorinated aromatic ring.
Exceptional chemical stability.
Hydrophobic character.
High lipophilicity.
Resistance to biodegradation.
Low volatility.
Persistent environmental behavior.
Strong carbon-chlorine bonds.
The complete chlorination of the benzene ring makes Hexachlorobenzene highly resistant to many ordinary chemical reactions.

MOLECULAR STRUCTURE AND CHARACTERISTICS of HEXACHLOROBENZENE:
Hexachlorobenzene consists of:
One benzene ring.
Six chlorine atoms.
A perfectly symmetrical aromatic structure.

The six chlorine atoms create:
Strong electron-withdrawing effects.
High molecular stability.
Increased density.
Reduced chemical reactivity.
Enhanced persistence.

Structural characteristics of Hexachlorobenzene include:
Planar aromatic geometry.
Complete chlorination.
High molecular symmetry.
Strong carbon-chlorine bonds.
Excellent crystal packing.
Hydrophobic molecular surface.
This unique structure is directly responsible for both Hexachlorobenzene's historical industrial usefulness and its environmental problems.

THERMAL CHARACTERISTICS of HEXACHLOROBENZENE:
Hexachlorobenzene possesses excellent thermal stability.
Hexachlorobenzene remains stable across many industrial temperature ranges.

SOLUBILITY BEHAVIOR of HEXACHLOROBENZENE:
One of the defining characteristics of Hexachlorobenzene is its extreme hydrophobicity.

Hexachlorobenzene is:
Nearly insoluble in water.
Soluble in many chlorinated solvents.
Soluble in aromatic hydrocarbons.
Soluble in acetone.
Soluble in ether.
Hexachlorobenzene's high affinity for fats and organic matter explains its tendency to bioaccumulate.

CHEMICAL REACTIVITY of HEXACHLOROBENZENE:
Hexachlorobenzene is relatively unreactive under ordinary conditions.
Hexachlorobenzene resists:
Hydrolysis.
Oxidation.
Biological degradation.
Acid attack under normal conditions.
Hexachlorobenzene's exceptional stability contributes to its environmental persistence.

PRODUCTION of HEXACHLOROBENZENE:
Hexachlorobenzene has been produced on a laboratory scale since the 1890s by electrophilic aromatic substitution reaction of chlorine with benzene or chlorobenzenes.
The typical catalyst is ferric chloride.
Much milder reactants than chlorine (e.g., dichlorine monoxide , iodine in chlorosulfonic acid ) are also sufficient, and various hexachlorocyclohexanes can also be used in place of benzene.

Large-scale production for use as a fungicide has been developed using the residue remaining after purification of a mixture of hexachlorocyclohexane isomers from which the insecticide lindane (γ-isomer) is removed, leaving behind the undesirable α- and β- isomers.
This mixture is produced by the reaction of benzene with chlorine in the presence of ultraviolet light (e.g., sunlight).
Hexachlorobenzene can be obtained by distillation of the residues remaining from tetrachloroethylene production.

Similar to the production of benzene from acetylene via trimerization, hexachlorobenzene can be obtained from the chlorinated derivative of acetylene, dichloroacetylene, using various catalysts.
In the 19th century, different methods of hexachlorobenzene production were discovered, such as holding 1,1,2,2-tetrachloroethane at a temperature of 100 hours, long-term chlorination of toluene and xylene in the presence of antimony pentachloride , heating various other benzene derivatives with iodine chloride , and chlorination of most aromatic hydrocarbons.

PRODUCTION QUANTITY of HEXACHLOROBENZENE:
Worldwide production of pure Hexachlorobenzene for the years 1978–1981 is estimated at 10,000 tons/year.
In 1973, an estimated 300 tons of Hexachlorobenzene were produced by three producers in the USA.
Before 1978, a company in Spain produced an estimated 150 tons of Hexachlorobenzene per year.

Starting in the 1970s, Hexachlorobenzene production decreased due to restrictions in Europe or North America.
Significant amounts of Hexachlorobenzene are unintentionally produced as a byproduct in the manufacturing of chlorinated solvents, chlorinated aromatics, and chlorinated pesticides.
A 1986 estimate in the US found that approximately 4,130 tons of waste Hexachlorobenzene were produced annually, with about 77% originating from the manufacture of three common chlorinated solvents: carbon tetrachloride , trichloroethylene , and tetrachloroethylene.

The remainder was produced by the chlorinated pesticide industry.
In 1977, approximately 300 tons of Hexachlorobenzene were produced as a byproduct of tetrachloroethylene production in Japan, almost all of which was incinerated.

In 1980, it was estimated that more than 5,000 tons of Hexachlorobenzene were produced annually as a byproduct of tetrachloroethylene production in the Federal Republic of Germany.
However, recent estimates for Europe by the European Chlorinated Solvents Association (ECSA), affiliated with Euro Chlor , show that up to 4000 tonnes of Hexachlorobenzene are produced annually as byproducts during certain tetrachloroethylene production processes, and that more than 99% of these byproducts are destroyed by incineration at high temperatures.

REACTIONS of HEXACHLOROBENZENE:
Hexachlorobenzene is generally inert and does not react easily.
Strong nucleophiles such as alcohol solutions of alkalis , alkali metal alkoxides , sodium hydrosulfide or sodium disulfide , and amines can react with one chlorine atom of hexachlorobenzene.

Alkyl alkali metal mercaptures can react with two chlorine atoms of hexachlorobenzene via an exothermic reaction to form 1,4-bis(alkylmercapto)tetrachlorobenzenes.
The fluorine analog hexafluorobenzene can be produced by the reaction of hexachlorobenzene with alkali metal fluorides such as potassium fluoride:
C6Cl6 + 6 KF → C6F6 + 6 KCl

Hexachlorobenzene has been used in the production of pentachlorophenol and pentachlorothiophenoyl compounds.
In small-scale industrial phloroglucinol synthesis, hexachlorobenzene is nucleophilically substituted with alkoxides , followed by acidic treatment.
Hexachlorobenzene can react violently with dimethylformamide , especially in the presence of catalytic amounts of transition metal salts.

PRODUCTION METHODS of HEXACHLOROBENZENE:
Hexachlorobenzene is commercially produced through the chlorination of benzene.
Production starts with the direct chlorination of benzene at around 200 DegC under atmospheric pressure, where chlorine gas reacts with benzene in the presence of a catalyst such as ferrous oxide to facilitate the substitution of hydrogen atoms with chlorine.

This process yields hexachlorobenzene as the primary product, although it can also form as a by-product during the manufacture of other chlorinated compounds, such as pentachlorobenzene or certain pesticides like lindane.
An alternative route involves the catalytic chlorination of hexachlorocyclohexane (HCH) isomers, which can also produce hexachlorobenzene.

HISTORY of HEXACHLOROBENZENE:
Hexachlorobenzene was first known as "Julin's chloride of carbon" as it was discovered as a strange and unexpected product of impurities reacting in Johan Jacob von Julin's nitric acid factory.
In 1864, Hugo Müller synthesised Hexachlorobenzene by the reaction of benzene and antimony pentachloride, he then suggested that his compound was the same as Julin's chloride of carbon.
Müller previously also believed Hexachlorobenzene was the same compound as Michael Faraday's "perchloride of carbon" (Hexachloroethane), obtained a small sample of Julin's chloride of carbon to send to Richard Phillips and Faraday for investigation.

In 1867, Henry Bassett proved that Hexachlorobenzene produced from benzene and antimony was the same as Julin's carbon chloride and named it "hexachlorobenzene".
Leopold Gmelin named it "dichloride of carbon" and claimed that the carbon was derived from cast iron and the chlorine was from crude saltpetre.
Victor Regnault obtained hexachlorobenzene from the decomposition of chloroform and tetrachloroethylene vapours through a red-hot tube.
The crystal structure of hexachlorobenzene was determined by Kathleen Lonsdale who showed the molecule to be planar and hexagonal.

SYNTHESIS of HEXACHLOROBENZENE:
Large-scale manufacture for use as a fungicide was developed by using the residue remaining after purification of the mixture of isomers of hexachlorocyclohexane, from which the insecticide lindane (the γ-isomer) had been removed, leaving the unwanted α- and β- isomers.
This mixture is produced when benzene is reacted with chlorine in the presence of ultraviolet light (e.g. from sunlight).

However, manufacture is no longer practiced following the compound's ban.
Hexachlorobenzene has been made on a laboratory scale since the 1890s, by the electrophilic aromatic substitution reaction of chlorine with benzene or chlorobenzenes.
A typical catalyst is ferric chloride.
Much milder reagents than chlorine (e.g. dichlorine monoxide, iodine in chlorosulfonic acid) also suffice, and the various hexachlorocyclohexanes can substitute for benzene as well.

PHYSICAL and CHEMICAL PROPERTIES of HEXACHLOROBENZENE:
Chemical Name: Hexachlorobenzene
Common Name: HCB
IUPAC Name: Hexachlorobenzene
CAS Number: 118-74-1
EC Number: 204-273-9
Molecular Formula: C₆Cl₆
Molecular Weight: 284.78 g/mol
PubChem CID: 6394
ChemSpider ID: 6154
Chemical Class: Organochlorine compound, Chlorinated aromatic hydrocarbon, Persistent Organic Pollutant

Appearance: White crystalline solid
Physical State: Solid
Odor: Slight aromatic odor
Physical state: Solid
Appearance: White crystalline powder or crystals
Color: White
Odor: Slight aromatic odor
Molecular formula: C₆Cl₆
Molecular weight: 284.78 g/mol
Melting point: 229–231°C

Boiling point: 323–326°C
Density: Approximately 2.04 g/cm³
Vapor density: Approximately 9.8 (air = 1)
Vapor pressure: Approximately 0.001 mmHg at 20°C
Water solubility: Approximately 0.005 mg/L at 25°C
Solubility in ethanol: Slightly soluble
Solubility in acetone: Soluble
Solubility in benzene: Highly soluble
Solubility in chloroform: Highly soluble

Log Kₒw: Approximately 5.5–6.4
Henry's Law Constant: Approximately 0.018 atm·m³/mol
Refractive index: Approximately 1.67
Chemical formula: C6Cl6
Molar mass: 284.77 g·mol−1
Appearance: White crystalline solid
Density: 2.04 g/cm3
Melting point: 228.83 °C (443.89 °F; 501.98 K)
Boiling point: 325 °C (617 °F; 598 K)
Solubility in water: insoluble

Solubility in other solvents: slightly soluble in ethanol; soluble in diethyl ether and chloroform; very soluble in benzene
log P: 5.47
Magnetic susceptibility (χ): −147.0·10−6 cm3/mol
Thermochemistry:
Heat capacity (C): 201.2 J·mol−1·K−1
Std molar entropy (S⦵298): 260.2 J·mol−1·K−1
Std enthalpy of formation (ΔfH⦵298): −127.6 kJ·mol−1
Enthalpy of fusion (ΔfH⦵fus): 25.2 kJ·mol−1
Melting point: 227-229 °C(lit.)

Boiling point: 323-326 °C(lit.)
density: 1.5691
vapor pressure: 1.45 x l0-3 Pa (20 °C)
refractive index: 1.5691 (estimate)
Fp: 11 °C
storage temp.: APPROX 4°C
solubility: Chloroform, Hexanes (Slightly)
Water Solubility: Practically insoluble in water
Specific Heat Capacity: Cp(crystal): 0.71 J/(g·K), at 25℃
Merck: 13,4696
BRN: 1912585
Henry's Law Constant: 6.11 at 25 °C (continuous flow sparger, Sproule et al., 1991)

Exposure limits: No exposure limit has been set for this com pound. 
Stability: Stable. Incompatible with strong oxidizing agents.
InChIKey: CKAPSXZOOQJIBF-UHFFFAOYSA-N
CAS DataBase Reference: 118-74-1(CAS DataBase Reference)
IARC: 2B (Vol. Sup 7, 79) 2001
EPA Substance Registry System: Hexachlorobenzene (118-74-1)
Molecular Weight: 284.8 g/mol
XLogP3: 5.7
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Rotatable Bond Count: 0

Exact Mass: 283.810166 Da
Monoisotopic Mass: 281.813116 Da
Topological Polar Surface Area: 0 Ų
Heavy Atom Count: 12
Formal Charge: 0
Complexity: 104
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
Chemical formula: C 6 Cl 6
Molecular mass: 284.78 g mol −1
Appearance: White crystalline solid
Intensity: 2.04 g/ cm³
melting point: 228.83 °C (443.89 °F; 501.98 K)
Boiling point: 325 °C (617 °F; 598 K)
Solubility (in water): insoluble

Solubility (in other solvents): It is sparingly soluble in ethanol; well soluble in diethyl ether, chloroform, and benzene
log P: 5.47
Magnetic susceptibility (χ²): −147.0·10 −6 cm 3 /mol
Thermochemistry
Heat capacity (°C): 201.2 J·mol −1 ·K −1
Standard molar entropy (S ⦵ 298): 260.2 J·mol −1 ·K −1
Standard enthalpy of formation (Δ f H ⦵ 298): −127.6 kJ·mol −1
Empirical Formula (Hill Notation): C6Cl6
CAS Number: 118-74-1
Molecular Weight: 284.78
UNSPSC Code: 41116107

NACRES: NA.24
PubChem Substance ID: 329756809
EC Number: 204-273-9
Beilstein/REAXYS Number: 1912585
MDL number: MFCD00000540
Physical state: solid
Form: powder
Color: white
Odor: No data available
Melting point/ range: 227 - 229 °C
Method: lit.
Boiling point/boiling range: 323 - 326 °C

Method: lit.
Flammability: No data available
Upper explosion limit / Upper flammability limit: No data available
Lower explosion limit / Lower flammability limit: No data available
Flash point: No data available
Autoignition temperature: No data available
Decomposition temperature: No data available
pH: No data available
Viscosity, dynamic: No data available
Viscosity, kinematic: No data available
Flow time: No data available

Water solubility: No data available
Partition coefficient: noctanol/water: No data available
Vapor pressure: No data available
Relative density: No data available
Density: No data available
Relative vapour density: No data available
9.2 Other information
Explosives: No data available
Oxidizing properties: No data available
Burning rate: No data available
Evaporation rate: No data available
Molecular weight: 284,78 g/mol

FIRST AID MEASURES of HEXACHLOROBENZENE:
-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 HEXACHLOROBENZENE:
-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 HEXACHLOROBENZENE:
-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 HEXACHLOROBENZENE:
-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 HEXACHLOROBENZENE:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed. 
Dry.

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

For more information, you can contact Ataman Kimya.
İstanbul Head Office: +90 216 577 10 10
Fax: +90 216 577 42 80