5-Nitro-1H-Benzotriazole

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Properties Simple | Detailed

Formula C6H4N4O2
IUPAC Name 5-nitro-2h-benzotriazole
Molecular Mass 164.122 g·mol−1
Heat of Formation 322.8 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 169.32 Å 3
Surface Area 171.63 Å 2
HOMO Energy -10.44 ± 0.55 eV
LUMO Energy 1.28 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-benzotriazole, 5-nitro-
  • 1h-benzotriazole, 6-nitro-
  • 5-nitro-1h-1,2,3-benzotriazole
  • 5-nitro-2h-benzotriazole
  • 5-nitrobenzo-1,2,3-triazole
  • 5-nitrobenzotriazol
  • 5-nitrobenzotriazol [un0385] [explosive 1.1d]
  • 5-nitrobenzotriazole
  • 5r-0632
  • 6-nitro-1h-benzotriazole
  • 6-nitrobenzotriazole
  • ae-641/30196002
  • n-(2h-benzotriazol-5-yl)-n-oxido-hydroxylamine
  • n-(2h-benzotriazol-5-yl)-n-oxidohydroxylamine
  • n-hydroxy-2h-benzotriazol-5-amine oxide
CAS Number(s)
  • 2338-12-7
InChIKey AOCDQWRMYHJTMY-UHFFFAOYSA-N
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