Phenylisocyanate

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Properties Simple | Detailed

Formula C7H5NO
IUPAC Name isocyanatobenzene
Molecular Mass 119.121 g·mol−1
Heat of Formation 25.7 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 144.79 Å 3
Surface Area 154.59 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry Cs
Synonyms
  • benzene, isocyanato-
  • benzene,isocyanate
  • carbanil
  • isocyanic acid, phenyl ester
  • isocyanic acid, phenyl ester (8ci)
  • mondur p
  • phenyl carbonimide
  • phenyl isocyanate
  • phenyl isocyanate [un2487] [poison]
  • phenylcarbimide
CAS Number(s)
  • 103-71-9
  • 102086-99-7
InChIKey DGTNSSLYPYDJGL-UHFFFAOYSA-N
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