1-Azido-5-Isothiocyanatonaphthalene

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Properties Simple | Detailed

Formula C11H7N4S
IUPAC Name 1-azido-5-isothiocyanato-naphthalene
Molecular Mass 227.265 g·mol−1
Heat of Formation 662.0 ± 16.7 kJ·mol−1
Dipole Moment 0.72 ± 1.08 D
Volume 256.37 Å 3
Surface Area 245.28 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
Synonyms
  • 5-isothiocyanato-1-naphthalene azide
  • n3napncs
  • naphthalene, 1-azido-5-isothiocyanato-
CAS Number(s)
  • 82516-84-5
InChIKey SDAGQISKSVNUAS-UHFFFAOYSA-N
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