Perfluorophenyl Isothiocyanate

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Properties Simple | Detailed

Formula C7F5NS
IUPAC Name 1,2,3,4,5-pentafluoro-6-isothiocyanato-benzene
Molecular Mass 225.139 g·mol−1
Heat of Formation -628.1 ± 16.7 kJ·mol−1
Dipole Moment 0.41 ± 1.08 D
Volume 196.13 Å 3
Surface Area 193.14 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,3,4,5-pentafluoro-6-isothiocyanatobenzene
  • benzene, pentafluoroisothiocyanato-
  • pentafluorophenyl isothiocyanate
  • pentafluorophenylisothiocyanate
CAS Number(s)
  • 35923-79-6
InChIKey NGNKMRBGZPDABE-UHFFFAOYSA-N
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Elements S N C F