1,3,5-Trinitrobenzene

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Properties Simple | Detailed

Formula C6H3N3O6
IUPAC Name 1,3,5-trinitrobenzene
Molecular Mass 213.105 g·mol−1
Heat of Formation 81.7 ± 16.7 kJ·mol−1
Dipole Moment 0.01 ± 1.08 D
Volume 204.67 Å 3
Surface Area 201.51 Å 2
HOMO Energy -11.95 ± 0.55 eV
LUMO Energy -2.72 ± eV
Point Group Symmetry D3h
Synonyms
  • benzene, 1,3,5-trinitro-
  • benzene, trinitro- (wet)
  • benzene,1,3,5-trinitro-
  • benzite
  • s-trinitrobenzene
  • sym-trinitrobenzene
  • symmetric trinitrobenzene
  • syn-trinitrobenzene
  • t5315062
  • tnb
  • trinitrobenzeen
  • trinitrobenzene
  • trinitrobenzene, dry
  • trinitrobenzene, dry or wetted with < 30% water, by mass
  • trinitrobenzene, dry or wetted with <30% water, by mass [un0214] [explosive 1.1d]
  • trinitrobenzene, wet
  • trinitrobenzene, wetted with not <30% water, by mass [un1354] [flammable solid]
  • trinitrobenzol
CAS Number(s)
  • 99-35-4
InChIKey UATJOMSPNYCXIX-UHFFFAOYSA-N
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