CAS 873-32-5

2-Chlorobenzonitrile

Description:

2-Chlorobenzonitrile, with the CAS number 873-32-5, is an aromatic compound characterized by a benzene ring substituted with a chlorine atom and a nitrile group (–C≡N) at the second position. This compound appears as a colorless to pale yellow liquid or solid, depending on temperature and purity. It has a relatively high boiling point and moderate solubility in organic solvents, making it useful in various chemical applications. 2-Chlorobenzonitrile is primarily utilized as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. Its chemical structure contributes to its reactivity, allowing it to participate in nucleophilic substitution reactions and other transformations. Additionally, it exhibits properties typical of nitriles, such as being polar and capable of forming hydrogen bonds, which influences its behavior in chemical reactions and interactions with other substances. Safety precautions should be observed when handling this compound, as it may pose health risks if inhaled or ingested.

Formula: C₇H₄ClN

InChI: InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H

InChI key: InChIKey=NHWQMJMIYICNBP-UHFFFAOYSA-N

SMILES: C(#N)C1=C(Cl)C=CC=C1

Synonyms:

• 1-Chloro-2-cyanobenzene
• 2-Chlorophenyl cyanide
• 2-Cyanochlorobenzene
• Benzonitrile, 2-chloro-
• Benzonitrile, o-chloro-
• NSC 8438
• O-Chlorobenzonitrile
• Ocbn
• o-Chlorocyanobenzene
• o-Cyanochlorobenzene
• 2-Chlorobenzonitrile

2-Chlorobenzonitrile

CAS: 873-32-5

Formula: C₇H₄ClN

Purity: >98.0%(GC)

Color and Shape: White or Colorless to Orange to Green powder to lump to clear liquid

Molecular weight: 137.57

Ref: 3B-C1130

2-Chlorobenzonitrile, 98%

CAS: 873-32-5

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₇H₄ClN

Purity: 98%

Color and Shape: Crystals or powder or crystalline powder or lumps or chunks or clear liquid as melt, White to pale yellow

Molecular weight: 137.57

Ref: 02-B20451

2-Chlorobenzonitrile

CAS: 873-32-5

Formula: C₇H₄ClN

Color and Shape: White To Off-White Solid

Molecular weight: 137.57

Ref: 4Z-B-146008

2-Chlorobenzonitrile

Controlled Product

CAS: 873-32-5

Formula: C₇H₄ClN

Color and Shape: Neat

Molecular weight: 137.57

Ref: 04-C11392000

2-Chlorobenzonitrile

CAS: 873-32-5

2-Chlorobenzonitrile

Formula: C₇H₄ClN

Purity: 99%

Color and Shape: white crystalline powder

Molecular weight: 137.57g/mol

Ref: 54-OR18294

2-Chlorobenzonitrile

CAS: 873-32-5

Applications 2-Chlorobenzonitrile is an activated aryl chloride that is commonly used in reactions that involve the Palladium-catalyzed direct arylation of heteroaromatics (e.g. 3-aminopicolinic acid [A627800]). 2-Chlorobenzonitrile and its substituted derivatives (e.g. 2,3-dichloro-6-nitrobenzonitrile [2112-22-3]) also have potential anti-inflammatory properties.
References Andreu, M., et al.: Chem. Commun., 24, 2475 (2000); Hellman, W., et al.: J. Med. Chem., 21, 906 (1978); Roy, D., et al.: ACS Catal., 2, 1033 (2012);

Formula: C₇H₄ClN

Color and Shape: Neat

Molecular weight: 137.57

Ref: TR-C367330

2-Chlorobenzonitrile

CAS: 873-32-5

Formula: C₇H₄ClN

Purity: 98%

Color and Shape: Solid, White - Pale yellow powder

Molecular weight: 137.57

Ref: 10-F094274

2-Chlorobenzonitrile

CAS: 873-32-5

2-Chlorobenzonitrile is a white solid that is soluble in organic solvents. It is an aryl halide and has a chemical structure of C6ClCN. 2-Chlorobenzonitrile is used as a raw material for the production of dyes and pharmaceuticals. This compound reacts with hydrochloric acid to form 4-chlorobenzonitrile, which can be used in the synthesis of other chemicals. 2-Chlorobenzonitrile can also react with n-dimethyl formamide in an optimal reaction solution to form 4-chlorobenzonitrile. The FTIR spectroscopy on this compound shows that it has a chloride group at 795 cm−1. The optimum reaction temperature for this compound is between 100 and 120 °C, but it will react with inorganic acids such as sulfuric acid or phosphoric acid at higher temperatures. Synthesis of this compound can be done by reacting

Formula: C₇H₄ClN

Purity: Min. 95%

Color and Shape: White Powder

Molecular weight: 137.57 g/mol

Ref: 3D-FC38158

2-Chlorobenzonitrile

CAS: 873-32-5

Formula: C₇H₄ClN

Purity: 98%

Color and Shape: Solid

Molecular weight: 137.5664

Ref: IN-DA003H1S