4-Chlorophenyl Isothiocyanate

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Properties Simple | Detailed

Formula C7H4ClNS
IUPAC Name 1-chloro-4-isothiocyanato-benzene
Molecular Mass 169.631 g·mol−1
Heat of Formation 219.8 ± 16.7 kJ·mol−1
Dipole Moment 1.86 ± 1.08 D
Volume 187.5 Å 3
Surface Area 190.38 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 1.61 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-chloro-4-isothiocyanatobenzene
  • 4-chlor-phenyl-isothiocyanat
  • benzene, 1-chloro-4-isothiocyanato-
  • isothiocyanic acid, 4-chlorophenyl ester
  • isothiocyanic acid, p-chlorophenyl ester
  • p-chlorophenyl isothiocyanate
  • sch 20350
CAS Number(s)
  • 2131-55-7
InChIKey MZZVFXMTZTVUFO-UHFFFAOYSA-N
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Elements H S N C Cl