1-Tert-Butyl-3,5-Dimethyl-2,4-Dinitrobenzene

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Properties Simple | Detailed

Formula C12H16N2O4
IUPAC Name 1-tert-butyl-3,5-dimethyl-2,4-dinitro-benzene
Molecular Mass 252.266 g·mol−1
Heat of Formation -93.4 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 295.53 Å 3
Surface Area 257.84 Å 2
HOMO Energy -10.53 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitrobenzene
  • 1-tert-butyl-3,5-dimethyl-4,6-dinitrobenzene
  • benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitro-
CAS Number(s)
  • 71850-77-6
  • 94594-30-6
InChIKey AOJWKPQIUREKNP-UHFFFAOYSA-N
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