4-Bromophenyl Isothiocyanate

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Properties Simple | Detailed

Formula C7H4BrNS
IUPAC Name 1-bromo-4-isothiocyanato-benzene
Molecular Mass 214.082 g·mol−1
Heat of Formation 274.2 ± 16.7 kJ·mol−1
Dipole Moment 2.05 ± 1.08 D
Volume 194.08 Å 3
Surface Area 196.05 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.61 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-bromo-4-isothiocyanatobenzene
  • 4-bromophenylisothiocyanate
  • benzene, 1-bromo-4-isothiocyanato-
  • bromobenzene-4-isothiocyanate
  • isothiocyanic acid, p-bromophenyl ester
  • p-bromophenyl isothiocyanate
  • trichofytocid
  • zero/008327
CAS Number(s)
  • 1985-12-2
InChIKey XQACWEBGSZBLRG-UHFFFAOYSA-N
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Elements H S C Br N