Benzyl Cyanide

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Properties Simple | Detailed

Formula C8H7N
IUPAC Name 2-phenylacetonitrile
Molecular Mass 117.148 g·mol−1
Heat of Formation 197.2 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 157.56 Å 3
Surface Area 163.0 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry Cs
Synonyms
  • (cyanomethyl)benzene
  • .alpha.-cyanotoluene
  • .alpha.-tolunitrile
  • .omega.-cyanotoluene
  • acetic acid, phenyl-nitrile
  • acetonitrile, phenyl-
  • alpha-cyanotoluene
  • alpha-tolunitrile
  • benzeneacetonitrile
  • benzyl nitrile
  • benzylnitrile
  • omega-cyanotoluene
  • phenyl acetyl nitrile
  • phenyl-acetonitrile
  • phenylacetonitrile
  • phenylacetonitrile, liquid
  • phenylacetonitrile, liquid [un2470] [poison]
  • toluene, .alpha.-cyano-
  • toluene, alpha-cyano-
  • usaf kf-21
CAS Number(s)
  • 140-29-4
InChIKey SUSQOBVLVYHIEX-UHFFFAOYSA-N
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