4-Methyl-3,5-Dinitroaniline

Molecule SVG Image

Properties Simple | Detailed

Formula C7H7N3O4
IUPAC Name 4-methyl-3,5-dinitro-aniline
Molecular Mass 197.148 g·mol−1
Heat of Formation 38.2 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 206.56 Å 3
Surface Area 200.03 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.79 ± eV
Point Group Symmetry C1
Synonyms
  • (4-methyl-3,5-dinitro-phenyl)amine
  • 2,6-dinitro-4-aminotoluene
  • 3,5-dinitro-4-methylaniline
  • 3,5-dinitro-p-toluidine
  • 4-amino-1-methyl-2,6-dinitrobenzene
  • 4-amino-2,6-dinitrotoluene
  • 4-methyl-3,5-dinitrobenzenamine
  • benzenamine, 3,5-dinitro-4-methyl-
  • benzenamine, 4-methyl-3,5-dinitro-
  • benzenamine, 4-methyl-3,5-dinitro- (9ci)
  • p-toluidine, 3,5-dinitro-
  • zero/001239
CAS Number(s)
  • 19406-51-0
InChIKey KQRJATLINVYHEZ-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N