2,4-Diamino-6-Nitrotoluene

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Properties Simple | Detailed

Formula C7H9N3O2
IUPAC Name 4-methyl-5-nitro-benzene-1,3-diamine
Molecular Mass 167.165 g·mol−1
Heat of Formation 34.9 ± 16.7 kJ·mol−1
Dipole Moment 6.51 ± 1.08 D
Volume 187.6 Å 3
Surface Area 186.08 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (5-amino-2-methyl-3-nitro-phenyl)amine
  • 1,3-benzenediamine, 4-methyl-5-nitro-
  • 2,4-diamino-1-methyl-6-nitrobenzene
  • 2-nitro-4,6-diaminotoluene
  • 4-methyl-5-nitrobenzene-1,3-diamine
  • toluene-2,4-diamine, 6-nitro-
CAS Number(s)
  • 6629-29-4
InChIKey DFZSBQYOXAUYCB-UHFFFAOYSA-N
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