1-Methyl-3,5-Dinitrobenzene

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Properties Simple | Detailed

Formula C7H6N2O4
IUPAC Name 1-methyl-3,5-dinitro-benzene
Molecular Mass 182.134 g·mol−1
Heat of Formation 29.5 ± 16.7 kJ·mol−1
Dipole Moment 5.48 ± 1.08 D
Volume 193.1 Å 3
Surface Area 193.35 Å 2
HOMO Energy -11.02 ± 0.55 eV
LUMO Energy -2.04 ± eV
Point Group Symmetry Cs
Synonyms
  • 3,5-dinitrotoluene
  • 3,5-dnt
  • benzene, 1-methyl-3,5-dinitro-
  • benzene, 1-methyl-3,5-dinitro- (9ci)
  • toluene, 3,5-dinitro-
CAS Number(s)
  • 618-85-9
InChIKey RUIFULUFLANOCI-UHFFFAOYSA-N
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