2,2',4,4',6,6'-Hexachlorobiphenyl

• CAS: 33979-03-2
• Catalog Number: ACM33979032
• Category: Other Products
• Molecular Weight: 360.9
• Molecular Formula: C12H4Cl6
• Synonyms: 2,2',4,4',6,6'-Hexachloro-1,1'-biphenyl
• IUPAC Name: 1,3,5-trichloro-2-(2,4,6-trichlorophenyl)benzene
• Canonical SMILES: C1=C(C=C(C(=C1Cl)C2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl
• InChI Key: ICOAEPDGFWLUTI-UHFFFAOYSA-N
• Boiling Point: 365.6ºC at 760 mmHg
• Melting Point: 114ºC
• Flash Point: 170.5ºC
• Density: 1.593 g/cm³
• Complexity: 234
• Defined Atom Stereocenter Count: 0
• EC Number: 251-773-8
• Exact Mass: 359.8414
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 359.8414
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 0 Ų
• XLogP3-AA: 7.3