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115959

Benzoyl cyanide

98%

Synonym(s):

Phenylglyoxylonitrile

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About This Item

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
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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

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.

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H300

Hazard Classifications

Acute Tox. 2 Oral

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

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Deleterious substance

pdsc

115959-25G:4.548173103334E12 + 115959-100G:4.548173103327E12

jan

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