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115959 Sigma-Aldrich

Benzoyl cyanide

98%

Synonym: Phenylglyoxylonitrile

  • CAS Number 613-90-1

  • Linear Formula C6H5COCN

  • Molecular Weight 131.13

  •  Beilstein/REAXYS Number 1072101

  •  EC Number 210-359-7

  •  MDL number MFCD00001837

  •  PubChem Substance ID 24847253

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds - Organic Building Blocks,
Quality Level   100
assay   98%
bp   206 °C (lit.)
mp   28-31 °C (lit.)
density   1.106 g/mL at 25 °C (lit.)
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.

Packaging

25, 100 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS06  GHS06
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 3439 6.1 / PGII
WGK Germany 
3
Flash Point(F) 
183.2 °F
Flash Point(C) 
84 °C

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

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