Chem
J-GLOBAL ID：200907015054481338   Nikkaji number：J126.414A

PCB-189

PCB-189
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12H3Cl7
Molecular formula furigana： C12-H3-CL7
Molecular weight： 395.310
InChI： InChI=1S/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H
InChI key： XUAWBXBYHDRROL-UHFFFAOYSA-N
SMILES： Clc1cc(cc(Cl)c1Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl
Systematic name  (5)：
  • 2,3,4,5,3′,4′,5′-ヘプタクロロ-1,1′-ビフェニル
  • 2,3,3′,4,4′,5,5′-ヘプタクロロビフェニル
  • 2,3,3′,4,4′,5,5′-ヘプタクロロ-1,1′-ビフェニル
  • 2,3,3',4,4',5,5'-ヘプタクロロ-1,1'-ビフェニル
  • 2,3,3',4,4',5,5'-heptachloro-1,1'-biphenyl
Other name (4)：
  • 2,3,3′,4,4′,5,5′-Heptachloro-1,1′-biphenyl
  • CB-189
  • PCB-189
  • 2,3,3′,4,4′,5,5′-HpCB
CAS registry number： 39635-31-9
KEGG COMPOUND： C18123
Application (1)：
pollutant
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