4-(Methylsulfonyl)-2,2′,4′,5,5′-pentachlorobiphenyl

CAS Registry Number®

66640-61-7

CAS Name

4-(Methylsulfonyl)-2,2′,4′,5,5′-pentachlorobiphenyl

Molecular Formula

C13H7Cl5O2S

Molecular Mass

404.52

Cite this Page

4-(Methylsulfonyl)-2,2′,4′,5,5′-pentachlorobiphenyl.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=66640-61-7 (retrieved 2024-11-28) (CAS RN: 66640-61-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    178-179 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C13H7Cl5O2S/c1-21(19,20)13-5-9(15)7(3-12(13)18)6-2-10(16)11(17)4-8(6)14/h2-5H,1H3

InChIKey

InChIKey=RRNFGIXWXHWJLE-UHFFFAOYSA-N

SMILES

ClC1=C(C=C(Cl)C(S(C)(=O)=O)=C1)C2=C(Cl)C=C(Cl)C(Cl)=C2

Canonical SMILES

O=S(=O)(C1=CC(Cl)=C(C=C1Cl)C2=CC(Cl)=C(Cl)C=C2Cl)C

Other Names for this Substance

  • 1,1′-Biphenyl, 2,2′,4,5,5′-pentachloro-4′-(methylsulfonyl)-
  • 2,2′,4,5,5′-Pentachloro-4′-(methylsulfonyl)-1,1′-biphenyl
  • 4-(Methylsulfonyl)-2,2′,4′,5,5′-pentachlorobiphenyl
  • 4′-Methylsulfonyl-2,4,5,2′,5′-pentachlorobiphenyl
  • 4′-Methylsulfonyl-PCB 101

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