115959

Benzoyl cyanide

98%

• Synonym(s): Phenylglyoxylonitrile
• Linear Formula: C₆H₅COCN
• CAS Number: 613-90-1
• Molecular Weight: 131.13
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 24847253
• EC Number: 210-359-7
• Beilstein/REAXYS Number: 1072101
• MDL number: MFCD00001837
• Assay: 98%
• Form: solid

Properties

• assay: 98%
• form: solid
• bp: 206 °C (lit.)
• mp: 28-31 °C (lit.)
• density: 1.106 g/mL at 25 °C (lit.)
• functional group: ketone, nitrile, phenyl
• SMILES string: O=C(C#N)c1ccccc1
• InChI: 1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H
• InChI key: GJQBHOAJJGIPRH-UHFFFAOYSA-N

Description

General description

Benzoyl cyanide is used to study the mechanism of reduction of benzoyl cyanide in acetonitrile, N,N-dimethylformamide and acetonitrile. It undergoes hydrolysis by Rhodococcus sp. CCZU10-1 to form benzoylformic acid.

Application

Reagent for selective acylation of amino compounds.

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H300
• pcodes: P264 - P270 - P301 + P310 + P330 - P405 - P501
• Hazard Classifications: Acute Tox. 2 Oral
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• flash_point_f: 183.2 °F - closed cup
• flash_point_c: 84 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges