3,4-Dinitrotoluene

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Properties Simple | Detailed

Formula C7H6N2O4
IUPAC Name 4-methyl-1,2-dinitro-benzene
Molecular Mass 182.134 g·mol−1
Heat of Formation 55.9 ± 16.7 kJ·mol−1
Dipole Moment 8.13 ± 1.08 D
Volume 191.93 Å 3
Surface Area 190.44 Å 2
HOMO Energy -10.95 ± 0.55 eV
LUMO Energy 1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4-dnt
  • 4-methyl-1,2-dinitrobenzene
  • benzene, 4-methyl-1,2-dinitro-
  • ghl.pd_mitscher_leg0.941
  • toluene, 3,4-dinitro-
CAS Number(s)
  • 610-39-9
InChIKey INYDMNPNDHRJQJ-UHFFFAOYSA-N
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