2,2',3,4',5',6-Hexachlorobiphenyl

• CAS: 38380-04-0
• Catalog Number: ACM38380040
• Category: Other Products
• Molecular Weight: 360.9
• Molecular Formula: C12H4Cl6
• Synonyms: PCB No 149, PCB 149, PCB-149, 34105_RIEDEL, 34105_FLUKA, CB149, CID38016, 2,2,3,4,5,6-Hexachlorobiphenyl, CB 149, 2,2,3,4,5,6-Hexachloro-1,1-biphenyl, 1,1-Biphenyl, 2,2,3,4,5,6-hexachloro-, 2,2,3,4,5,6-HEXACHLOROBIPHENYL, LS-44403, C120129, 38380-04-0
• IUPAC Name: 1,2,4-trichloro-3-(2,4,5-trichlorophenyl)benzene
• Canonical SMILES: C1=CC(=C(C(=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl
• InChI Key: LKHLFUVHHXCNJH-UHFFFAOYSA-N
• Boiling Point: 383.5ºC at 760 mmHg
• Flash Point: 183.8ºC
• Density: 1.593 g/cm³
• Complexity: 286
• Defined Atom Stereocenter Count: 0
• 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
• Safety Description: S35
• Topological Polar Surface Area: 0 Ų
• XLogP3-AA: 7.1