1-Bromo-4-(Isothiocyanatomethyl)Benzene

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Properties Simple | Detailed

Formula C8H6BrNS
IUPAC Name 1-bromo-4-(isothiocyanatomethyl)benzene
Molecular Mass 228.109 g·mol−1
Heat of Formation 265.7 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 212.77 Å 3
Surface Area 206.61 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 4-bromobenzylisothiocyanate
  • benzene, 1-bromo-4-(isothiocyanatomethyl)-
CAS Number(s)
  • 2076-56-4
InChIKey LJLVCPAZYKYXCH-UHFFFAOYSA-N
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Elements H S C Br N