Chlorophenyl Isocyanate

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Properties Simple | Detailed

Formula C7H4ClNO
IUPAC Name 1-chloro-2-isocyanato-benzene
Molecular Mass 153.566 g·mol−1
Heat of Formation -22.5 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 163.11 Å 3
Surface Area 167.1 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-chloro-2-isocyanatobenzene
  • 2-chlorophenyl isocyanate
  • benzene, 1-chloro-2-isocyanato-
  • chloroisocyanatobenzene
  • isocyanic acid, o-chlorophenyl ester
  • isocyanic acid, o-chlorophenyl ester (8ci)
  • o-chlorophenyl isocyanate
  • sb 01818
CAS Number(s)
  • 3320-83-0
  • 51134-03-3
InChIKey NOHQUGRVHSJYMR-UHFFFAOYSA-N
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Elements H C N O Cl