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

Base Information

• Chemical Name: 2,3,3',4,4',6-Hexachlorobiphenyl
• CAS No.: 74472-42-7
• Molecular Formula: C₁₂H₄Cl₆
• Molecular Weight: 360.882
• UNII: C2JHN8P01Z
• DSSTox Substance ID: DTXSID8074231
• Nikkaji Number: J151.532B
• Wikidata: Q27275100
• Mol file: 74472-42-7.mol

Synonyms:2,3,3',4,4',6-Hexachlorobiphenyl;74472-42-7;PCB 158;UNII-C2JHN8P01Z;C2JHN8P01Z;1,2,3,5-tetrachloro-4-(3,4-dichlorophenyl)benzene;1,1'-Biphenyl,2,3,3',4,4',6-hexachloro-;2,3,3',4,4',6-Hexachloro-1,1'-biphenyl;1,1'-Biphenyl, 2,3,3',4,4',6-hexachloro-;SCHEMBL4449757;DTXSID8074231;PCB-158;2,3,3/',4,4/',6-Hexachlorobiphenyl;1,1'-Biphenyl, 2,3,3',4,4',6-hexachloro;Q27275100

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

Chemical Property:

• Melting Point: 107°C
• Refractive Index: 1.6270 (rough estimate)
• Boiling Point: 446.99°C (rough estimate)
• Flash Point: 195.3oC
• PSA: 0.00000
• Density: 1.5940 (rough estimate)
• LogP: 7.27400
• Water Solubility.: 8.07ug/L(20 oC)
• 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: 286

Purity/Quality:

99% ^*data from raw suppliers

2,3,3'',4,4'',6-Hexachlorobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl
• Uses: 2,3,3'',4,4'',6-Hexachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

Technology Process of 2,3,3',4,4',6-Hexachlorobiphenyl

There total 4 articles about 2,3,3',4,4',6-Hexachlorobiphenyl which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2,3,4,6-tetrachloroiodobenzene (56892-56-9) + 3,4-dichloroiodobenzene (20555-91-3) → 2,3,4,4',5',6-hexachlorobiphenyl (74472-42-7)

Guidance literature:

With copper; In N,N-dimethyl-formamide; Heating;

DOI:10.1016/0045-6535(95)00140-4

Reference yield:

→ 2,3,4,4',5',6-hexachlorobiphenyl (74472-42-7)

Guidance literature:

With air; Formation of xenobiotics; Heating;

DOI:10.1021/es048745i

Reference yield:

→ 2,3,4,4',5',6-hexachlorobiphenyl (74472-42-7)

Guidance literature:

With air; Formation of xenobiotics; Heating;

DOI:10.1021/es048745i

upstream raw materials:

2,3,4,6-tetrachloroiodobenzene

3,4-dichloroiodobenzene

2,3,4,6-tetrachloroaniline

1,2-dichloro-benzene

Refernces

• 1、 Bolgar,et al.. "Physical, spectral and chromatographic properties of all 209 individual PCB congeners". . p. 2687 - 2705. Retrieved 2007/10/03.