1,3,7,9-Tetranitrobenzotriazolo[2,1-A]Benzotriazol-5-Ium-6-Ide

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Properties Simple | Detailed

Formula C12H4N8O8
IUPAC Name 1,3,7,9-tetranitrobenzotriazolo[2,1-a]benzotriazol-5-ium-6-ide
Molecular Mass 388.209 g·mol−1
Heat of Formation 1837.1 ± 16.7 kJ·mol−1
Dipole Moment 0.00 ± 1.08 D
Volume 354.02 Å 3
Surface Area 334.14 Å 2
HOMO Energy -10.65 ± 0.55 eV
LUMO Energy -4.14 ± eV
Point Group Symmetry C2h
Synonyms
  • 1,3,7,9-tetranitro-6h-benzotriazolo(2,1-a)benzotriazol-5-ium ate
  • 1,3,7,9-tetranitrobenzotriazolo[2,1-a]benzotriazol-11-ium-12-ide
  • 6h-benzotriazolo(2,1-a)benzotriazol-5-ium, 1,3,7,9-tetranitro-, hydroxide, inner salt
  • 6h-benzotriazolo(2,1-a)benzotriazol-5-ium, 1,3,7,9-tetranitro-, inner salt
  • einecs 246-752-5
CAS Number(s)
  • 15285-07-1
  • 25243-36-1
  • 47584-15-6
InChIKey MNUJHDPQSAMAAM-UHFFFAOYSA-N
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