Hexachlorobutadiene

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Properties Simple | Detailed

Formula C4Cl6
IUPAC Name 1,1,2,3,4,4-hexachlorobuta-1,3-diene
Molecular Mass 260.761 g·mol−1
Heat of Formation -50.8 ± 16.7 kJ·mol−1
Dipole Moment 0.43 ± 1.08 D
Volume 220.21 Å 3
Surface Area 202.61 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C2
Synonyms
  • 1,1,2,3,4,4-hexachloro-1,3-butadiene
  • 1,3-butadiene, 1,1,2,3,4,4-hexachloro-
  • 1,3-butadiene, hexachloro-
  • 1,3-hexachlorobutadiene
  • c 46
  • c-46
  • dolen-pur
  • gp-40-66:120
  • hcbd
  • hexachlor-1,3-butadien
  • hexachlorbutadiene
  • hexachloro-1,3-butadiene
  • hexachlorobuta-1,3-diene
  • hexachlorobutadiene [un2279] [poison]
  • perchlorobutadiene
CAS Number(s)
  • 87-68-3
InChIKey RWNKSTSCBHKHTB-UHFFFAOYSA-N
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Elements C Cl