3-Methylsulfonyl-2,3',4',5,6-Pentachlorobiphenyl
[CAS# 116807-23-9]

Identification

• Name: 3-Methylsulfonyl-2,3',4',5,6-Pentachlorobiphenyl
• Synonyms: 1,2,4-Trichloro-3-(3,4-Dichlorophenyl)-5-Methylsulfonyl-Benzene; 1,2,4-Trichloro-3-(3,4-Dichlorophenyl)-5-Mesyl-Benzene
• Molecular Formula: C₁₃H₇Cl₅O₂S
• Molecular Weight: 404.52
• CAS Registry Number: 116807-23-9
• SMILES: C1=C(C(=C(C(=C1Cl)Cl)C2=CC=C(C(=C2)Cl)Cl)Cl)[S](=O)(=O)C
• InChI: 1S/C13H7Cl5O2S/c1-21(19,20)10-5-9(16)12(17)11(13(10)18)6-2-3-7(14)8(15)4-6/h2-5H,1H3
• InChIKey: NKBOVEVCLKFTOC-UHFFFAOYSA-N

Properties

• Density: 1.579g/cm³ (Cal.)
• Boiling point: 525.048°C at 760 mmHg (Cal.)
• Flash point: 271.34°C (Cal.)