2,4-Dinitroaniline

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Properties Simple | Detailed

Formula C6H5N3O4
IUPAC Name 2,4-dinitroaniline
Molecular Mass 183.122 g·mol−1
Heat of Formation 30.5 ± 16.7 kJ·mol−1
Dipole Moment 7.18 ± 1.08 D
Volume 183.92 Å 3
Surface Area 184.92 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry Cs
Synonyms
  • (2,4-dinitrophenyl)amine
  • 1-amino-2,4-dinitrobenzene
  • 2,4-dinitraniline
  • 2,4-dinitroanilin
  • 2,4-dinitroanilina
  • 2,4-dinitrobenzenamine
  • 2,4-dinitrophenylamine
  • aniline, 2,4-dinitro-
  • benzenamine, 2,4-dinitro-
  • ghl.pd_mitscher_leg0.930
CAS Number(s)
  • 97-02-9
InChIKey LXQOQPGNCGEELI-UHFFFAOYSA-N
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