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Substance Name: Benzeneacetonitrile, alpha-oxo-
RN: 613-90-1
InChIKey: GJQBHOAJJGIPRH-UHFFFAOYSA-N

Molecular Formula

  • C8-H5-N-O

Molecular Weight

  • 131.133
 
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Names and Synonyms

Synonyms

  • AI3-13150
  • alpha-Oxobenzeneacetonitrile
  • alpha-Tolunitrile, alpha-oxo-
  • Benzoyl cyanide
  • Benzoyl nitrile
  • EINECS 210-359-7
  • NSC 401920
  • Phenylglyoxylonitrile

Systematic Names

  • Benzeneacetonitrile, alpha-oxo-
  • Benzoyl cyanide
  • Glyoxylonitrile, phenyl- (8CI)

Registry Numbers

CAS Registry Number

  • 613-90-1

System Generated Number

  • 0000613901

Structure Descriptors

InChI

1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H

InChIKey

GJQBHOAJJGIPRH-UHFFFAOYSA-N

Smiles

c1(C(C#N)=O)ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 32.5 deg C   EXP
Boiling Point 206 deg C   EXP
log P (octanol-water) 0.200 (none)   EST
Atmospheric OH Rate Constant 1.78E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.