Benzoyl cyanide , 98% , 613-90-1

Synonym(s):
Phenylglyoxylonitrile

CAS NO.：613-90-1

Empirical Formula: C8H5NO

Molecular Weight: 131.13

MDL number: MFCD00001837

EINECS: 210-359-7

PRODUCT Properties

• Melting point: 28-31 °C(lit.)
• Boiling point: 206 °C(lit.)
• Density: 1.106 g/mL at 25 °C(lit.)
• refractive index: 1.4700 (estimate)
• Flash point: 184 °F
• solubility: soluble in Methanol
• form: powder to lump to clear liquid
• color: White or Colorless to Light yellow
• Water Solubility: slihtly soluble, decomposes
• BRN: 1072101
• InChI: InChI=1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H
• InChIKey: GJQBHOAJJGIPRH-UHFFFAOYSA-N
• SMILES: C(C1C=CC=CC=1)(=O)C#N
• CAS DataBase Reference: 613-90-1(CAS DataBase Reference)
• NIST Chemistry Reference: Benzeneacetonitrile, «alpha»-oxo-(613-90-1)
• EPA Substance Registry System: Benzeneacetonitrile, .alpha.-oxo- (613-90-1)

Description and Uses

Using benzoyl cyanide as an electrophile also gives selective acylation of the 3-position, as does levulinic acid in the presence of DCC.
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. Reagent for selective acylation of amino compounds.

Safety

• Symbol(GHS): GHS06
• Signal word: Danger
• Hazard statements: H300
• Precautionary statements: P264-P301+P310
• Hazard Codes: T,N
• Risk Statements: 25-50-34-24/25-20
• Safety Statements: 36/37/39-45-61-29-26
• RIDADR: UN 3439 6.1/PG 2
• WGK Germany: 3
• F: 10
• HazardClass: 6.1(b)
• PackingGroup: III
• HS Code: 29269095
• Limited Quantities: 100ml (liquid) or 0.5 Kg (solid)
• Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)