Oxo(Phenyl)Acetonitrile

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Properties Simple | Detailed

Formula C8H5NO
IUPAC Name benzoyl cyanide
Molecular Mass 131.131 g·mol−1
Heat of Formation 121.4 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 160.3 Å 3
Surface Area 164.73 Å 2
HOMO Energy -10.52 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry Cs
Synonyms
  • .alpha.-oxobenzeneacetonitrile
  • .alpha.-tolunitrile, .alpha.-oxo-
  • 2-keto-2-phenyl-acetonitrile
  • 2-oxo-2-phenyl-ethanenitrile
  • 2-oxo-2-phenylacetonitrile
  • alpha-oxobenzeneacetonitrile
  • alpha-tolunitrile, alpha-oxo-
  • benzeneacetonitrile, .alpha.-oxo-
  • benzeneacetonitrile, alpha-oxo-
  • benzoyl nitrile
  • glyoxylonitrile, phenyl-
  • glyoxylonitrile, phenyl- (8ci)
  • phenylglyoxylonitrile
CAS Number(s)
  • 613-90-1
InChIKey GJQBHOAJJGIPRH-UHFFFAOYSA-N
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