1,2,4-Trinitrobenzene

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Properties Simple | Detailed

Formula C6H3N3O6
IUPAC Name 1,2,4-trinitrobenzene
Molecular Mass 213.105 g·mol−1
Heat of Formation 118.7 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 208.81 Å 3
Surface Area 202.36 Å 2
HOMO Energy -11.76 ± 0.55 eV
LUMO Energy -2.72 ± eV
Point Group Symmetry Cs
Synonyms
  • benzene, 1,2,4-trinitro-
CAS Number(s)
  • 610-31-1
InChIKey OJJRABFYHOHGGU-UHFFFAOYSA-N
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