115959

Benzoyl cyanide

98%

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

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
• Signal Word: Danger
• Hazard Statements: H300
• Precautionary Statements: P264 - P301 + P310
• Hazard Classifications: Acute Tox. 2 Oral
• Storage Class Code: 6.1B - Non-combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 3
• Flash Point(F): 183.2 °F - closed cup
• Flash Point(C): 84 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves