3336-16-1

Basic information

• Product Name: 2-CHLORO-4-HYDROXYBENZONITRILE
• Synonyms: 2-CHLORO-4-HYDROXYBENZONITRILE;Chloro-4-hydroxybenzonitrile;2-Chloro-4-hydroxybenzonitrile 98+%;3-Chloro-4-cyanophenol;2-Chloro-4-hydroxybenzonitrile 98%;Benzonitrile,2-chloro-4-hydroxy-
• CAS NO: 3336-16-1
• Molecular Formula: C₇H₄ClNO
• Molecular Weight: 153.57
• Product Categories: Aromatic Nitriles;C6 to C7;Cyanides/Nitriles;Nitrogen Compounds
• Mol File: 3336-16-1.mol
• Article Data: 1

Chemical Properties

• Melting Point: 160 °C (dec.)(lit.)
• Boiling Point: 323.2 °C at 760 mmHg
• Flash Point: 149.3 °C
• Appearance: /
• Density: 1.41 g/cm³
• Vapor Pressure: 0.000141mmHg at 25°C
• Refractive Index: 1.611
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 6.88±0.18(Predicted)
• CAS DataBase Reference: 2-CHLORO-4-HYDROXYBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-4-HYDROXYBENZONITRILE(3336-16-1)
• EPA Substance Registry System: 2-CHLORO-4-HYDROXYBENZONITRILE(3336-16-1)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• Hazardous Substances Data: 3336-16-1(Hazardous Substances Data)

Usage

Description

2-Chloro-4-hydroxybenzonitrile is an organic compound characterized by the presence of a chlorine atom at the 2nd position, a hydroxyl group at the 4th position, and a nitrile group attached to the benzene ring. It is a versatile intermediate in the synthesis of various organic compounds and pharmaceuticals.

Uses

Used in Pharmaceutical Industry:
2-Chloro-4-hydroxybenzonitrile is used as an intermediate in the synthesis of arylthioamides, which are compounds with potential pharmaceutical applications.
Used in Organic Synthesis:
2-Chloro-4-hydroxybenzonitrile is used in the synthesis of 6-aminophenanthridines via the Suzuki-Miyaura coupling reaction. This reaction is a widely used method for the formation of carbon-carbon bonds, allowing for the creation of complex organic molecules.
Additionally, 2-chloro-4-hydroxybenzonitrile may be used in the preparation of 5-bromo-2-chloro-4-hydroxybenzonitrile, which can serve as a precursor for further chemical reactions and the synthesis of other organic compounds.

InChI:InChI=1/C7H4ClNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H

Upstream product

• 20925-27-3 4-amino-2-chlorobenzonitrile 

Downstream Products

• 84475-42-3 4'-Pentyl-biphenyl-4-carboxylic acid 3-chloro-4-cyano-phenyl ester 
• 132151-30-5 4-cyano-3-chlorophenyl 4-hexyl-3-chlorobiphenyl-4-carboxylate 
• 108768-42-9 4-(5-Heptyl-pyrimidin-2-yl)-benzoic acid 3-chloro-4-cyano-phenyl ester 
• 89458-07-1 4-(4-Pentyl-cyclohexyl)-benzoic acid 3-chloro-4-cyano-phenyl ester 
• 136240-37-4 3'-Chloro-4'-pentyl-biphenyl-4-carboxylic acid 3-chloro-4-cyano-phenyl ester 
• 853953-30-7 2-chloro-4-benzyloxybenzonitrile 
• 644985-33-1 [3-chloro-4-(4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)-phenyl]-carbamic acid benzyl ester 
• 56962-11-9 2-chloro-4-hydroxybenzaldehyde 
• 56069-35-3 ethyl 2-chloro-4-hydroxybenzoate 
• 933773-00-3 2-chloro-4-{4-methyl-2-[2-(4-trifluoromethyl-phenyl)-ethyl]-oxazol-5-ylmethoxy}-benzonitrile 
• 933773-06-9 2-chloro-4-[2-(4-methoxy-phenyl)-4-(tetrahydro-pyran-2-yloxymethyl)-oxazol-5-ylmethoxy]-benzonitrile 
• 933781-93-2 2-chloro-4-[4-methyl-2-(1-methyl-cyclohexyl)-oxazol-5-ylmethoxy]-benzonitrile 

Relevant articles and documents

3-Chloro-4-cyanophenyl 4'-substituted benzoates

Disclosed are compounds of the formula: STR1 wherein R is an alkyl group having 1 to 8 carbon atoms and X is a dioxane, cyclohexane, or benzene ring. The compounds of the invention are suitable as liquid crystal materials in electrooptical displays. Specifically, when added to nematic liquid crystals, these compounds provide an increase in the positive dielectric anisotropy of the liquid crystal composition.