115959
Benzoyl cyanide
98%
Synonym(s):
Phenylglyoxylonitrile
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About This Item
Linear Formula:
C6H5COCN
CAS Number:
Molecular Weight:
131.13
Beilstein:
1072101
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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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.
related product
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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The mechanism of reduction of benzoyl cyanide, 6, p-methoxybenzoyl cyanide, 7, and p-chlorobenzoyl cyanide, 8, has been studied in acetonitrile (6 and 7), N,N-dimethylformamide (6), and acetonitrile containing water (all three compounds). The reaction proceeds by initial reduction to form
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