Chlorotrinitrobenzene

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Properties Simple | Detailed

Formula C6H2ClN3O6
IUPAC Name 1-chloro-2,3,4-trinitro-benzene
Molecular Mass 247.550 g·mol−1
Heat of Formation 122.4 ± 16.7 kJ·mol−1
Dipole Moment 6.55 ± 1.08 D
Volume 226.06 Å 3
Surface Area 211.95 Å 2
HOMO Energy -11.42 ± 0.55 eV
LUMO Energy -2.43 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-chloro-2,3,4-trinitrobenzene
  • benzene, chlorotrinitro-
  • trinitrochlorobenzene
  • trinitrochlorobenzene or picryl chloride [un0155] [explosive 1.1d]
CAS Number(s)
  • 28260-61-9
InChIKey SRYLRVUJDQTFDL-UHFFFAOYSA-N
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Elements H C N O Cl