4-Hydroxyamino-2,6-Dinitrotoluene

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Properties Simple | Detailed

Formula C7H7N3O5
IUPAC Name n-(4-methyl-3,5-dinitro-phenyl)hydroxylamine
Molecular Mass 213.148 g·mol−1
Heat of Formation -14.8 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 218.68 Å 3
Surface Area 210.54 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -1.98 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hadnt
  • 4-hydroxyamino-1-methyl-2,6-dinitrobenzene
  • 4-hydroxylamino-1-methyl-2,6-dinitrobenzene
  • 4-hydroxylamino-2,6-dinitrotoluene
  • benzenamine, n-hydroxy-4-methyl-3,5-dinitro-
  • n-(4-methyl-3,5-dinitro-phenyl)hydroxylamine
  • n-(4-methyl-3,5-dinitrophenyl)hydroxylamine
CAS Number(s)
  • 59283-75-9
InChIKey HTTDEAQRSCMCQS-UHFFFAOYSA-N
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