4-(Methylsulfonyl)-PCB 149

CAS Registry Number®

116806-76-9
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CAS Name

4-(Methylsulfonyl)-PCB 149

Molecular Formula

C13H6Cl6O2S

Molecular Mass

438.97

Cite this Page

4-(Methylsulfonyl)-PCB 149.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=116806-76-9 (retrieved 2024-08-18) (CAS RN: 116806-76-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H6Cl6O2S/c1-22(20,21)10-4-9(17)11(13(19)12(10)18)5-2-7(15)8(16)3-6(5)14/h2-4H,1H3

InChIKey

InChIKey=KGAUWQDQUNCYKK-UHFFFAOYSA-N

SMILES

ClC1=C(C(Cl)=CC(S(C)(=O)=O)=C1Cl)C2=C(Cl)C=C(Cl)C(Cl)=C2

Canonical SMILES

O=S(=O)(C1=CC(Cl)=C(C(Cl)=C1Cl)C=2C=C(Cl)C(Cl)=CC2Cl)C

Other Names for this Substance

  • 1,1′-Biphenyl, 2,2′,3,4′,5′,6-hexachloro-4-(methylsulfonyl)-
  • 2,2′,3,4′,5′,6-Hexachloro-4-(methylsulfonyl)-1,1′-biphenyl
  • 4-(Methylsulfonyl)-2,2′,3,4′,5′,6-hexachlorobiphenyl
  • 4′-Methylsulfonyl-2,4,5,2′,3′,6′-hexachlorobiphenyl
  • 4-(Methylsulfonyl)-PCB 149

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