2,6-Diamino-4-Nitrotoluene

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Properties Simple | Detailed

Formula C7H9N3O2
IUPAC Name 2-methyl-5-nitro-benzene-1,3-diamine
Molecular Mass 167.165 g·mol−1
Heat of Formation 31.6 ± 16.7 kJ·mol−1
Dipole Moment 7.38 ± 1.08 D
Volume 190.04 Å 3
Surface Area 188.78 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry Cs
Synonyms
  • (3-amino-2-methyl-5-nitro-phenyl)amine
  • 1,3-benzenediamine, 2-methyl-5-nitro-
  • 2,6-diamino-1-methyl-4-nitrobenzene
  • 2-methyl-5-nitrobenzene-1,3-diamine
  • 4-nitro-2,6-toluenediamine
CAS Number(s)
  • 59229-75-3
InChIKey SPOWAUDUGZVURQ-UHFFFAOYSA-N
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