Phthalonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C8H4N2
IUPAC Name phthalonitrile
Molecular Mass 128.131 g·mol−1
Heat of Formation 367.4 ± 16.7 kJ·mol−1
Dipole Moment 6.61 ± 1.08 D
Volume 159.67 Å 3
Surface Area 165.59 Å 2
HOMO Energy -10.77 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry C2v
Synonyms
  • 1,2-benzenedicarbonitrile
  • 1,2-benzodinitrile
  • 1,2-dicyanobenzene
  • o-benzenedicarbonitrile
  • o-benzenedinitrile
  • o-cyanobenzonitrile
  • o-dicyanobenzene
  • o-pdn
  • o-phthalodinitrile
  • ortho-dicyanobenzene
  • phthalic acid dinitrile
  • phthalodinitrile
  • usaf nd-09
CAS Number(s)
  • 91-15-6
InChIKey XQZYPMVTSDWCCE-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N