1,4-Dinitrobenzene

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Properties Simple | Detailed

Formula C6H4N2O4
IUPAC Name 1,4-dinitrobenzene
Molecular Mass 168.107 g·mol−1
Heat of Formation 72.4 ± 16.7 kJ·mol−1
Dipole Moment 0.01 ± 1.08 D
Volume 171.98 Å 3
Surface Area 173.83 Å 2
HOMO Energy -11.49 ± 0.55 eV
LUMO Energy -2.42 ± eV
Point Group Symmetry D2h
Synonyms
  • benzene, 1,4-dinitro-
  • benzene, p-dinitro-
  • d300
  • dinitrobenzene, p-
  • dinitrobenzene, para-
  • dithane a-4
  • ghl.pd_mitscher_leg0.912
  • p-dinitrobenzene
  • p-dinitrobenzene [un1597] [poison]
CAS Number(s)
  • 100-25-4
InChIKey FYFDQJRXFWGIBS-UHFFFAOYSA-N
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