2,2',3,3',5,5',6-Heptachlorobiphenyl

Base Information

• Chemical Name: 2,2',3,3',5,5',6-Heptachlorobiphenyl
• CAS No.: 52663-67-9
• Molecular Formula: C₁₂H₃Cl₇
• Molecular Weight: 395.327
• Hs Code.: 2903999090
• UNII: TC6A5D9JJE
• DSSTox Substance ID: DTXSID2074162
• Nikkaji Number: J126.416H
• Wikidata: Q27289889
• Mol file: 52663-67-9.mol

Synonyms:2,2',3,3',5,5',6-HEPTACHLOROBIPHENYL;52663-67-9;PCB 178;1,2,4,5-tetrachloro-3-(2,3,5-trichlorophenyl)benzene;2,2',3,3',5,5',6-Heptachloro-1,1'-biphenyl;UNII-TC6A5D9JJE;TC6A5D9JJE;1,1'-Biphenyl, 2,2',3,3',5,5',6-heptachloro-;2,3,5,6,2',3',5'-Heptachlorobiphenyl;2,3,5,2',3',5',6'-Heptachlorobiphenyl;SCHEMBL4459067;DTXSID2074162;PCB-178;PCB No. 178 10 microg/mL in Isooctane;FT-0640088;2,2,3,3,5,5,6-HEPTACHLOROBIPHENYL;2,2',3,3',5,5',6-Heptachloro-1,1'-biphenyl #;Q27289889;PCB 178 (2,2',3,3',5,5',6-Heptachlorobiphenyl)

Chemical Property of 2,2',3,3',5,5',6-Heptachlorobiphenyl

Chemical Property:

• Refractive Index: 1.6330 (rough estimate)
• Boiling Point: 411oC at 760mmHg
• Flash Point: 201oC
• PSA: 0.00000
• Density: 1.658g/cm3
• LogP: 7.92740
• Water Solubility.: 8.84ug/L(20 oC)
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 393.802494
• Heavy Atom Count: 19
• Complexity: 299

Purity/Quality:

99% ^*data from raw suppliers

2,2',3,3',5,5',6-HEPTACHLOROBIPHENYL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl
• Uses: 2,2'',3,3'',5,5'',6-Heptachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

Technology Process of 2,2',3,3',5,5',6-Heptachlorobiphenyl

There total 2 articles about 2,2',3,3',5,5',6-Heptachlorobiphenyl 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:

1,2,4,5-Tetrachloro-3-iodobenzene (32770-82-4) + 1,2,5-trichloro-3-iodobenzene (216393-66-7) → 2,2',3,3',5,5',6-hexachlorobiphenyl (52663-67-9)

Guidance literature:

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

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

Reference yield:

2,3,5,6-tetrachloroaniline (3481-20-7) + 1,2,4-Trichlorobenzene (120-82-1,63697-18-7) → 2,2',3,3',5,5',6-hexachlorobiphenyl (52663-67-9)

Guidance literature:

With isopentyl nitrite;

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

upstream raw materials:

1,2,4,5-Tetrachloro-3-iodobenzene

1,2,5-trichloro-3-iodobenzene

2,3,5,6-tetrachloroaniline

1,2,4-Trichlorobenzene

Refernces