2-Chlorobenzonitrile - CAS 873-32-5

Catalog: BB070070
Product Name: 2-Chlorobenzonitrile
CAS: 873-32-5
Synonyms: 1-Chloro-2-cyanobenzene; 2-Chlorophenyl Cyanide; 2-Cyanochlorobenzene; 2-Cyanostyrene; NSC 8438; o-Chlorobenzonitrile; o-Chlorocyanobenzene; o-Cyanochlorobenzene
2-Chlorobenzonitrile
IUPAC Name:2-chlorobenzonitrile
Description: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.
Molecular Weight:137.57
Molecular Formula:C7H4ClN
Canonical SMILES:C1=CC=C(C(=C1)C#N)Cl
InChI:InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H
InChI Key:NHWQMJMIYICNBP-UHFFFAOYSA-N
Melting Point:>50°C (dec.)
Solubility:Chloroform, Ethyl Acetate (Slightly)
Appearance:White to Off-White Solid
Storage:-20°C
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).

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