5-Nitro-1,2-Dihydro-3H-1,2,4-Triazol-3-One

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Properties Simple | Detailed

Formula C2H2N4O3
IUPAC Name 5-nitro-1,2,4-triazole-1,2-diium-3-one
Molecular Mass 130.062 g·mol−1
Heat of Formation 112.2 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 125.1 Å 3
Surface Area 137.3 Å 2
HOMO Energy -10.64 ± 0.55 eV
LUMO Energy 0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,4-triazol-5-one, 3-nitro-
  • 1,2-dihydro-5-nitro-3h-1,2,4-triazol-3-one
  • 3-nitro-1,2,4-triazol-5-one
  • 3h-1,2,4-triazol-3-one, 1,2-dihydro-5-nitro-
  • 5-nitro-1,2,4-triazol-3-one
  • 5-nitro-1,2-dihydro-1,2,4-triazol-3-one
  • nitrotriazolone
  • nitrotriazolone or nto [un0490] [explosive 1.1d]
  • s-triazol-3-ol, 5-nitro-
  • zero/001406
CAS Number(s)
  • 932-64-9
InChIKey QJTIRVUEVSKJTK-UHFFFAOYSA-N
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