Picryl Chloride

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Properties Simple | Detailed

Formula C6H6ClN3O6
IUPAC Name 3-chloroprop-2-ynal; (z)-1-λ1-azanyloxy-1,3-dinitro-prop-1-ene
Molecular Mass 251.581 g·mol−1
Heat of Formation 664.3 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 257.03 Å 3
Surface Area 237.68 Å 2
HOMO Energy -10.92 ± 0.55 eV
LUMO Energy -2.91 ± eV
Point Group Symmetry C1
Synonyms
  • 1-chloro-2,4,6-trinitrobenzene
  • 2,4,6-trinitro-1-chlorobenzene
  • 2,4,6-trinitrochlorobenzene
  • 2-chloro-1,3,5-trinitro-benzene
  • benzene, 1-chloro-2,4,6-trinitro-
  • benzene, 2-chloro-1,3,5-trinitro-
  • picrylchloride
CAS Number(s)
  • 88-88-0
InChIKey HJRJRUMKQCMYDL-UHFFFAOYSA-N
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Elements H C N O Cl