1,2,3,6,7,8-Hexachlorooxanthrene

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Properties Simple | Detailed

Formula C12H2Cl6O2
IUPAC Name 1,2,3,6,7,8-hexachlorodibenzo-p-dioxin
Molecular Mass 390.861 g·mol−1
Heat of Formation -220.1 ± 16.7 kJ·mol−1
Volume 341.1 Å 3
Surface Area 303.61 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 1.47 ± eV
Point Group Symmetry C2h
Synonyms
  • 1,2,3,6,7,8-hcdd/1,2,3,7,8,9-hcdd
  • 1,2,3,6,7,8-hexa polychlorinated dibenzo-p-dioxin
  • 1,2,3,6,7,8-hexachlorodibenzo(b,e)(1,4)dioxin
  • 1,2,3,6,7,8-hexachlorodibenzo-p-dioxin [dioxin and dioxin-like compounds]
  • 1,2,3,6,7,8-hexachlorodibenzo-para-dioxin
  • 1,2,3,6,7,8-hexachlorodibenzodioxin
  • 1,2,3,6,7,8-hxcdd
  • dibenzo(b,e)(1,4)dioxin, 1,2,3,6,7,8-hexachloro-
  • dibenzo-p-dioxin, 1,2,3,6,7,8-hexachloro-
  • hcdd mixture
CAS Number(s)
  • 57653-85-7
InChIKey YCLUIPQDHHPDJJ-UHFFFAOYSA-N
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Elements H C O Cl