Benzonitrile

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Properties Simple | Detailed

Formula C7H5N
IUPAC Name benzonitrile
Molecular Mass 103.121 g·mol−1
Heat of Formation 224.0 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 133.92 Å 3
Surface Area 143.63 Å 2
HOMO Energy -10.33 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C2v
Synonyms
  • benzene, cyano-
  • benzenecarbonitrile
  • benzenenitrile
  • benzoic acid nitrile
  • benzonitrile [un2224] [poison]
  • c6h5-cn
  • cyanobenzene
  • phenyl cyanide
  • phenylcyanide
CAS Number(s)
  • 100-47-0
InChIKey JFDZBHWFFUWGJE-UHFFFAOYSA-N
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Elements H C N