CAS 116806-76-9

4-(Methylsulfonyl)-PCB 149

Description:

4-(Methylsulfonyl)-PCB 149, identified by its CAS number 116806-76-9, is a polychlorinated biphenyl (PCB) derivative characterized by the presence of a methylsulfonyl group. PCBs are a class of synthetic organic chemicals that consist of carbon, hydrogen, and chlorine atoms, known for their stability and resistance to degradation. This particular compound features a biphenyl structure with multiple chlorine substitutions, which contributes to its hydrophobic nature and potential for bioaccumulation in the environment. The methylsulfonyl group enhances its solubility in polar solvents, influencing its environmental behavior and toxicity. PCBs, including 4-(Methylsulfonyl)-PCB 149, are of significant concern due to their persistence in the environment and potential adverse effects on human health and ecosystems, including endocrine disruption and carcinogenic properties. Regulatory measures have been implemented in many countries to limit the use and release of PCBs, reflecting their hazardous nature. Understanding the characteristics and behavior of such compounds is crucial for environmental monitoring and risk assessment.

Formula: C₁₃H₆Cl₆O₂S

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

InChI key: InChIKey=KGAUWQDQUNCYKK-UHFFFAOYSA-N

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

Synonyms:

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

1,1'-Biphenyl, 2,2',3,4',5',6-hexachloro-4-(methylsulfonyl)-

CAS: 116806-76-9

Formula: C₁₃H₆Cl₆O₂S

Molecular weight: 438.9685

Ref: IN-DA000D8Y