O-Tolunitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C8H7N
IUPAC Name 2-methylbenzonitrile
Molecular Mass 117.148 g·mol−1
Heat of Formation 181.3 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 154.96 Å 3
Surface Area 159.73 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-methyl-2-cyanobenzene
  • 2-cyanotoluene
  • 2-methylbenzenecarbonitrile
  • benzonitrile, 2-methyl-
  • benzonitrile, methyl-
  • methylbenzonitrile
  • o-cyanotoluene
  • o-methylbenzonitrile
  • o-toluic nitrile
  • o-toluonitrile
  • o-tolylnitrile
CAS Number(s)
  • 25550-22-5
  • 529-19-1
InChIKey NWPNXBQSRGKSJB-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N