4-Methylsulfonyl-2,2',3,4',5',6-Hexachlorobiphenyl
[CAS# 116806-76-9]

Identification

• Name: 4-Methylsulfonyl-2,2',3,4',5',6-Hexachlorobiphenyl
• Synonyms: 1,3,4-Trichloro-5-Mesyl-2-(2,4,5-Trichlorophenyl)Benzene; 1,1'-Biphenyl, 2,2',3,4',5',6-Hexachloro-4-(Methylsulfonyl)-; 2,2',3,4',5',6-Hexachloro-4-(Methylsulfonyl)-1,1'-Biphenyl
• Molecular Formula: C₁₃H₆Cl₆O₂S
• Molecular Weight: 438.97
• CAS Registry Number: 116806-76-9
• SMILES: C1=C(C(=C(C(=C1Cl)C2=C(C=C(C(=C2)Cl)Cl)Cl)Cl)Cl)[S](C)(=O)=O
• 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: KGAUWQDQUNCYKK-UHFFFAOYSA-N

Properties

• Density: 1.637g/cm³ (Cal.)
• Boiling point: 519.47°C at 760 mmHg (Cal.)
• Flash point: 267.966°C (Cal.)