P-Chlorophenyl Isocyanate

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Properties Simple | Detailed

Formula C7H4ClNO
IUPAC Name 1-chloro-4-isocyanato-benzene
Molecular Mass 153.566 g·mol−1
Heat of Formation -11.1 ± 16.7 kJ·mol−1
Dipole Moment 0.83 ± 1.08 D
Volume 169.48 Å 3
Surface Area 173.68 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-chloro-4-isocyanatobenzene
  • 4-chloroisocyanatobenzene
  • 4-chlorophenyl isocyanate
  • 4-isocyanato chlorobenzene
  • benzene, 1-chloro-4-isocyanato-
  • p-chlorfenylisokyanat
  • para-chlorophenyl isocyanate
  • pcpi
CAS Number(s)
  • 104-12-1
InChIKey ADAKRBAJFHTIEW-UHFFFAOYSA-N
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Elements H C N O Cl