1-Azido-4-Isothiocyanatobenzene

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Properties Simple | Detailed

Formula C7H5N4S
IUPAC Name 1-azido-4-isothiocyanato-benzene
Molecular Mass 177.206 g·mol−1
Heat of Formation 577.7 ± 16.7 kJ·mol−1
Dipole Moment 1.74 ± 1.08 D
Volume 200.77 Å 3
Surface Area 206.11 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-azidophenyl isothiocyanate
  • 4-azidophenylisothiocyanate
  • benzene, 1-azido-4-isothiocyanato-
  • n3phncs
  • para-azidophenyl isothiocyanate
CAS Number(s)
  • 74261-65-7
InChIKey XMPGXADJZXSISQ-UHFFFAOYSA-N
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Elements H S C N