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O-CHLOROPHENOL

o-Chlorophenol is used as a pesticide and a pharmaceutical intermediate.
o-Chlorophenol is used as a disinfectant agents and various pesticides.
o-Chlorophenol is used intermediate in production of dyes and other organic chemicals


CAS Number: 95-57-8
EC Number: 202-433-2
Molecular Formula: C₆H₅ClO
Molecular Weight: 128.56 g/mol


SYNONYMS:
2-Chlorophenol, o-Chlorophenol, ortho-Chlorophenol, 2-Hydroxychlorobenzene, 2-CHLOROPHENOL, 95-57-8, o-Chlorophenol, Phenol, 2-chloro-, 2-Hydroxychlorobenzene, o-Chlorphenol, 2-Chloro-1-hydroxybenzene, o-Chlorophenic acid, Phenol, o-chloro-, Septi-Kleen, Pine-O Disinfectant, ortho-chlorophenol, DTXSID5021544, K9KAV4K6BN, 1-Chloro-2-hydroxybenzene, NSC-2870, DTXCID901544, CHEBI:47083, o-monochlorophenol, 2-monochlorophenol, ortho-monochlorophenol, RefChem:909745, 202-433-2, CHLOROPHENOL, RCRA waste number U048, 2-chloro-phenol, NSC 2870, MFCD00002159, 2-Chlorophenol, >=99%, 25167-80-0, Caswell No. 203, o-Chlorphenol [German], CAS-95-57-8, 2CH, CCRIS 640, HSDB 1415, EINECS 202-433-2, UNII-K9KAV4K6BN, RCRA waste no. U048, EPA Pesticide Chemical Code 062204, orthochlorophenol, AI3-09060, 2-chloro phenol, 1wbo, o-Chlorophenol, solid, o-Chlorophenol, liquid, Triclosan Impurity 24, PHENOL,2-CHLORO, 2-Chlorophenol, 98%, WLN: QR BG, 2-Chlorophenol (2-CP), EC 202-433-2, O-CHLOROPHENOL [MI], SCHEMBL12279, SCHEMBL57842, SCHEMBL97176, MLS002454425, BIDD:ER0681, SCHEMBL767058, 2-CHLOROPHENOL [HSDB], CHEMBL108877, SCHEMBL1029402, SCHEMBL1029760, SCHEMBL9732831, SCHEMBL29354452, BDBM36301, NSC2870, HMS2267F05, CS-D1478, Tox21_201410, Tox21_300340, EBC-47521, AKOS000118966, MSK9301-1000M, DB03110, FC38843, NCGC00091286-01, NCGC00091286-02, NCGC00091286-03, NCGC00254422-01, NCGC00258961-01, 2-Chlorophenol 10 microg/mL in Methanol, PD007376, PS-11957, SMR000112048, 2-Chlorophenol 100 microg/mL in Methanol, DB-057591, NS00002157, 2-Chlorophenol, SAJ first grade, >=99.0%, EN300-19240, 2-Chlorophenol Solution in Methanol, 1000_g/mL, 2-Chlorophenol, PESTANAL(R), analytical standard, F242866, Q176486, F0001-2274, o-Chlorophenol, solid [UN2020] [Keep away from food], Z104473270, 2-Chlorophenol, certified reference material, TraceCERT(R), o-Chlorophenol, liquid [UN2021] [Keep away from food], InChI=1/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8, o-Chlorophenol, 2-Chlorophenol, ortho-Chlorophenol, o-Hydroxychlorobenzene, 2-Hydroxychlorobenzene, 1-Chloro-2-hydroxybenzene, 2-Chloro-1-hydroxybenzene, 2-Chlorobenzenol, Chlorophenol-2, NSC 8772, UNII-2I1Q0M7X0O, 1-chloro-2-hydroxybenzene, 2-chlorophenol, 2-hydroxychlorobenzene, CHLOROPHENOL2-, Chlorophenol, 2-chlorophenolate, 2-chloro-1-hydroxybenzene, 2-Chloro-1-hydroxy-benzene, 2-chloro-pheno, 2-chlorophenol(o-chlorophenol), chloro-2phenol, o-chlorophenicacid, o-chloro-pheno, O-CHLORO PHENOL, 2-Chorophenol


o-Chlorophenol is an organic compound, a derivative of phenol.
o-Chlorophenol, also known as 2-chlorophenol, is a chemical compound with the molecular formula C6H5ClO.
o-Chlorophenol is a colorless to light brown solid with a strong phenolic odor.


o-Chlorophenol (2-Chlorophenol) is a monochlorinated aromatic phenolic compound in which a chlorine atom and a hydroxyl group are attached to adjacent carbon atoms on a benzene ring.
o-Chlorophenol is an important industrial intermediate used in the manufacture of pesticides, pharmaceuticals, dyes, antiseptics, preservatives, specialty chemicals, and synthetic organic compounds.


The presence of both the hydroxyl group and chlorine atom provides the molecule with enhanced chemical reactivity, allowing o-Chlorophenol to undergo a wide variety of substitution, condensation, oxidation, and coupling reactions.
Although naturally colorless, o-Chlorophenol may gradually become yellow or brown upon prolonged exposure to air and light because of oxidation.


2-Chlorophenol or o-Chlorophenol is an organic compound with the formula C6H4ClOH.
o-Chlorophenol is one of three isomers of monochlorophenol.
Aside from occasional use as a disinfectant, o-Chlorophenol has few applications.


o-Chlorophenol is an intermediate in the polychlorination of phenol.
o-Chlorophenol is a colorless liquid, although commercial samples are often yellow or amber-colored.
o-Chlorophenol has an unpleasant, penetrating (carbolic) odor.


o-Chlorophenol is poorly soluble in water.
o-Chlorophenol appears as a colorless to amber liquid with an unpleasant, penetrating odor.
The density of o-Chlorophenol is 1.265 g / cm3.


o-Chlorophenol sinks in water and slowly dissolves.
The freezing point of o-Chlorophenol is 7 °C (46 °F).
Boiling point of o-Chlorophenol is 175 °C (347 °F).


o-Chlorophenol is a monochlorophenol and a 2-halophenol.
o-Chlorophenol is a monochlorophenol isomer that has a chlorine atom in the ortho position.
o-Chlorophenol has a medicinal taste and smell, and is a slightly acidic liquid.


USES and APPLICATIONS of O-CHLOROPHENOL:
Used in Pesticide Production: o-Chlorophenol is used as a key intermediate in the synthesis of various pesticides, contributing to the development of agricultural chemicals that protect crops from pests and diseases.
Used in Disinfectant Formulation: o-Chlorophenol serves as an active ingredient in disinfectants, playing a crucial role in sanitizing surfaces and equipment to prevent the spread of infections and maintain hygiene.


Used in Preservative Creation: o-Chlorophenol is utilized as a preservative in different products to prevent spoilage and extend shelf life, ensuring the longevity and safety of various consumer goods.
Used in Pharmaceutical Manufacturing: o-Chlorophenol is employed in the production of pharmaceuticals, where it may contribute to the synthesis of drugs or serve as a component in medication formulations.


Used as an Industrial Byproduct: o-Chlorophenol is also a byproduct of several industrial processes, such as the production of chlorinated solvents and wood preservatives, highlighting its presence in various chemical manufacturing pathways.
Given the hazardous nature of o-Chlorophenol, it is essential to handle, store, and dispose of it with care to prevent environmental contamination and minimize human exposure.
o-Chlorophenol is used as a pesticide and a pharmaceutical intermediate.


o-Chlorophenol is used as a disinfectant agents and various pesticides.
o-Chlorophenol is used intermediate in production of dyes and other organic chemicals
o-Chlorophenol is widely utilized as a precursor for producing chlorinated aromatic derivatives and heterocyclic compounds.


o-Chlorophenol is used as a disinfectant agent (L722).
o-Chlorophenol is widely used as an intermediate in organic synthesis, particularly in the production of pesticides, herbicides, fungicides, pharmaceuticals, dyes, pigments, and specialty chemicals.


Its aromatic hydroxyl group and chlorine substituent make o-Chlorophenol an excellent starting material for numerous substitution and condensation reactions.
One of its major industrial applications is the manufacture of agrochemicals, where o-Chlorophenol  serves as an intermediate in synthesizing herbicides, insecticides, fungicides, and plant protection products.


o-Chlorophenol increases the biological activity of many chlorinated aromatic compounds produced from this intermediate.
In the pharmaceutical industry, o-chlorophenol is employed in the preparation of medicinal intermediates, antiseptic compounds, antimicrobial agents, and heterocyclic molecules.
o-Chlorophenol is also used in research laboratories for the synthesis of biologically active aromatic derivatives and pharmaceutical building blocks.


o-Chlorophenol is utilized in the manufacture of dyes, pigments, ultraviolet stabilizers, antioxidants, polymer additives, and specialty resins.
o-Chlorophenol also serves as a precursor for chlorinated phenolic compounds used in industrial chemical production.
In academic and industrial research, o-chlorophenol is widely employed as a model compound for studying aromatic substitution reactions, environmental degradation of chlorinated phenols, catalytic oxidation processes, and wastewater treatment technologies.


BENEFITS and CHARACTERISTICS of O-CHLOROPHENOL:
o-Chlorophenol is valued as a versatile chemical intermediate because it combines the reactivity of both a phenolic hydroxyl group and an aromatic chlorine atom within the same molecule.
This structural combination allows participation in numerous electrophilic substitution, nucleophilic substitution, oxidation, reduction, condensation, and coupling reactions.
o-Chlorophenol increases the compound's chemical versatility by serving as an excellent leaving group during many synthetic transformations.

This makes o-chlorophenol an important precursor for preparing more complex aromatic compounds and heterocyclic molecules.
o-Chlorophenol demonstrates good compatibility with many industrial organic solvents and reacts efficiently under relatively mild reaction conditions, allowing economical production of numerous specialty chemicals.

Its moderate acidity and well-defined aromatic structure make o-Chlorophenol useful in laboratory research involving reaction mechanism studies, catalyst development, and aromatic functionalization.
o-Chlorophenol is also valuable in analytical chemistry as a reference material for chlorinated phenolic substances.

Because of its high synthetic versatility, commercial availability, and well-established industrial applications, o-chlorophenol remains an important raw material for the manufacture of pharmaceuticals, agrochemicals, dyes, and specialty organic chemicals.


PHYSICAL and CHEMICAL PROPERTIES of O-CHLOROPHENOL:
Appearance: Colorless to pale yellow liquid; may darken to yellow or brown upon prolonged exposure to air and light.
Odor: Strong phenolic, medicinal, or tar-like odor.
Physical State: Liquid at room temperature.
Molecular Formula: C₆H₅ClO.
Molecular Weight: 128.56 g/mol.
Density: Approximately 1.26–1.27 g/cm³ at 20°C.
Melting Point: Approximately 8–9°C.
Boiling Point: Approximately 175–177°C.
Flash Point: Approximately 71–74°C (closed cup).
Auto-ignition Temperature: Approximately 600°C.
Vapor Pressure: Approximately 0.9–1.2 mmHg at 25°C.

Water Solubility: Slightly soluble in water (approximately 25–30 g/L at 25°C).
Solubility: Miscible or readily soluble in ethanol, methanol, acetone, ether, benzene, chloroform, toluene, and many organic solvents.
Partition Coefficient (log Kow): Approximately 2.1–2.3.
pKa: Approximately 8.5.
Refractive Index: Approximately 1.56 at 20°C.
Viscosity: Low-viscosity liquid.
Chemical Nature: Aromatic chlorinated phenol.
Functional Groups: Phenolic hydroxyl group and aromatic chlorine atom.
Stability: Stable under recommended storage conditions.

Air Sensitivity: Slowly oxidizes upon prolonged exposure to air.
Light Sensitivity: Prolonged exposure to light may cause discoloration.
Reactivity: Reacts with strong oxidizing agents, strong bases, acid chlorides, and nitrating agents.
Corrosiveness: May attack certain metals under specific conditions.
Thermal Stability: Stable at ambient temperatures; decomposes when strongly heated.
Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen chloride, and chlorinated aromatic compounds.
Flammability: Combustible liquid.
Environmental Behavior: Moderately persistent in the environment and toxic to aquatic organisms.
Chemical Name: o-Chlorophenol
Other Name: 2-Chlorophenol
IUPAC Name: 2-Chlorophenol

CAS Number: 95-57-8
EC Number: 202-433-2
Molecular Formula: C₆H₅ClO
Molecular Weight: 128.56 g/mol
Linear Formula: ClC₆H₄OH
XLogP3: 2.1
Exact Mass: 128.0028925 Da
Monoisotopic Mass: 128.0028925 Da
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1

Rotatable Bond Count: 0
Topological Polar Surface Area: 20.2 Ų
Heavy Atom Count: 8
Formal Charge: 0
Complexity: 74.9
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
Physical State: Liquid
Form: Liquid
Color: Light yellow
Odor: Characteristic, unpleasant
Odor Threshold: 1.24 ppm
Assay: ≥99%
Melting Point: 8–9 °C
Boiling Point: 175–176 °C
Density: 1.241 g/cm³ at 25 °C

Specific Density: 1.263 g/mL
Vapor Density: 4.4 (vs air)
Vapor Pressure: 13.3 hPa at 51.2 °C; 0.3 kPa at 20 °C
Flash Point: 64 °C
Autoignition Temperature: 550 °C
pKa: 8.50 ± 0.10 (predicted)
Water Solubility: 20.83 g/L at 15.4 °C
Partition Coefficient (log Pow): 2.18 at 20 °C
Dynamic Viscosity: 2 mPa·s at 50 °C
Surface Tension: 40.5 mN/m at 25 °C
Refractive Index: 1.547

Molar Volume: 101.8 mL/mol
Molecular Refractive Power: 32.28 mL/mol
Dielectric Constant: 8.20
Dipole Moment: 1.13 D
Explosive Properties: Not classified as explosive
Oxidizing Properties: None
Bioaccumulation: Not expected
SMILES: Oc1ccccc1Cl
PubChem Substance ID: 24851179
Beilstein/REAXYS Number: 1905114
MDL Number: MFCD00002159
UNSPSC Code: 12352100
NACRES: NA.22


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


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


 

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