3,3',5,5'-Tetrachloro-1,1'-Bi(2,5-Cyclohexadien-1-Ylidene)-4,4'-Dione

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Properties Simple | Detailed

Formula C12H4Cl4O2
IUPAC Name 2,6-dichloro-4-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one
Molecular Mass 321.971 g·mol−1
Heat of Formation -66.1 ± 16.7 kJ·mol−1
Dipole Moment 0.01 ± 1.08 D
Volume 305.39 Å 3
Surface Area 280.23 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -3.23 ± eV
Point Group Symmetry D2h
Synonyms
  • 2,5-cyclohexadien-1-one, 2,6-dichloro-4-(3,5-dichloro-4-oxo-2,5-cyclohexadien-1-ylidene)-
  • 2,6-dichloro-4-(3,5-dichloro-4-keto-1-cyclohexa-2,5-dienylidene)cyclohexa-2,5-dien-1-one
  • 2,6-dichloro-4-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-1-cyclohexa-2,5-dienone
  • 2,6-dichloro-4-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)cyclohexa-2,5-dien-1-one
  • 3,3'5,5'-tetrachlorodiphenoquinone
  • 3,5,3',5'-tetrachloro-bicyclohexylidene-2,5,2',5'-tetraene-4,4'-dione
  • bas 00295752
  • tcdpq
CAS Number(s)
  • 27728-29-6
  • 68076-35-7
InChIKey LVEOTTHDAMKQML-UHFFFAOYSA-N
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Elements H C O Cl