2,6-Dinitrotoluene

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Properties Simple | Detailed

Formula C7H6N2O4
IUPAC Name 2-methyl-1,3-dinitro-benzene
Molecular Mass 182.134 g·mol−1
Heat of Formation 39.2 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 190.29 Å 3
Surface Area 186.11 Å 2
HOMO Energy -11.00 ± 0.55 eV
LUMO Energy 1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-2,6-dinitrobenzene
  • 2,4-/2,6-dinitrotoluene mixture
  • 2,6-dinitromethylbenzene
  • 2,6-dnt
  • 2-methyl-1,3-dinitrobenzene
  • benzene, 2-methyl-1,3-dinitro-
  • sgcut00101
  • to_000039
  • toluene, 2,6-dinitro-
CAS Number(s)
  • 606-20-2
InChIKey XTRDKALNCIHHNI-UHFFFAOYSA-N
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