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

Base Information

• Chemical Name: 2,3',4,4',5',6-Hexachlorobiphenyl
• CAS No.: 59291-65-5
• Molecular Formula: C12H4 Cl6
• Molecular Weight: 360.88
• UNII: 783L7GB6V2
• DSSTox Substance ID: DTXSID5074187
• Nikkaji Number: J151.542J
• Wikidata: Q27266633
• ChEMBL ID: CHEMBL139202
• Mol file: 59291-65-5.mol

Synonyms:2,3',4,4',5',6-Hexachlorobiphenyl;59291-65-5;PCB 168;PCB-168;1,2,3-trichloro-5-(2,4,6-trichlorophenyl)benzene;UNII-783L7GB6V2;CHEMBL139202;783L7GB6V2;1,1'-Biphenyl, 2,3',4,4',5',6-hexachloro-;2,3',4,4',5',6-Hexachloro-1,1'-biphenyl;1,1'-Biphenyl, 2',3,4,4',5,6'-hexachloro;SCHEMBL4459925;DTXSID5074187;BDBM50408318;2,4,6,3',4',5'-Hexachloro-biphenyl;LS-44406;2,3/',4,4/',5/',6-Hexachlorobiphenyl;1,1'-Biphenyl, 2,3',4,4',5',6-hexachloro;Q27266633

Chemical Property of 2,3',4,4',5',6-Hexachlorobiphenyl

Chemical Property:

• Melting Point: 110.5°C
• Refractive Index: 1.6270 (rough estimate)
• Boiling Point: 446.99°C (rough estimate)
• Flash Point: 196oC
• PSA: 0.00000
• Density: 1.5940 (rough estimate)
• LogP: 7.27400
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 359.841466
• Heavy Atom Count: 18
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): A poison.
• Hazard Codes: A poison.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)Cl)Cl)C2=C(C=C(C=C2Cl)Cl)Cl
• Uses: 2,3'',4,4'',5'',6-Hexachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.