3,3',4,4',5,5'-Hexachlorobiphenyl

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Properties Simple | Detailed

Formula C12H4Cl6
IUPAC Name 1,2,3-trichloro-5-(3,4,5-trichlorophenyl)benzene
Molecular Mass 360.878 g·mol−1
Heat of Formation -2.9 ± 16.7 kJ·mol−1
Dipole Moment 0.01 ± 1.08 D
Volume 335.33 Å 3
Surface Area 300.68 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy -1.85 ± eV
Point Group Symmetry D2
Synonyms
  • 1,1'-biphenyl, 3,3',4,4',5,5'-hexachloro-
  • 1,1'-biphenyl, 3,3',4,4',5,5'-hexachloro- (9ci)
  • 3,3',4,4',5,5'-hexachloro-1,1'-biphenyl
  • 3,4,5,3',4',5'-hexa coplanar polychlorinated biphenyl
  • 3,4,5,3',4',5'-hexachlorobiphenyl
  • biphenyl, 3,3',4,4',5,5'-hexachloro-
  • pcb 169
  • polychlorinated biphenyls (pcbs)
CAS Number(s)
  • 1336-36-3
  • 32774-16-6
InChIKey ZHLICBPIXDOFFG-UHFFFAOYSA-N
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Elements H C Cl