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

Base Information

• Chemical Name: 2,2',3,3',5,6,6'-Heptachlorobiphenyl
• CAS No.: 52663-64-6
• Molecular Formula: C₁₂H₃Cl₇
• Molecular Weight: 395.327
• UNII: 166JMZ6X6Q
• DSSTox Substance ID: DTXSID0073538
• Nikkaji Number: J126.417F
• Wikidata: Q27251780
• Mol file: 52663-64-6.mol

Synonyms:2,2',3,3',5,6,6'-HEPTACHLOROBIPHENYL;52663-64-6;PCB 179;2,2',3,3',5,6,6'-Heptachloro-1,1'-biphenyl;UNII-166JMZ6X6Q;166JMZ6X6Q;1,1'-Biphenyl, 2,2',3,3',5,6,6'-heptachloro-;1,2,4,5-tetrachloro-3-(2,3,6-trichlorophenyl)benzene;2,3,5,6,2',3',6'-Heptachlorobiphenyl;2,3,6,2',3',5',6'-Heptachlorobiphenyl;DTXSID0073538;DTXCID9041237;SCHEMBL23827191;PCB-179;XYHVYEUZLSYHDP-UHFFFAOYSA-N;FT-0640085;2,2,3,3,5,6,6-HEPTACHLOROBIPHENYL;2,2',3,3',5,6,6'-Heptachloro-1,1'-biphenyl #;Q27251780

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

Chemical Property:

• Melting Point: 131.31°C (estimate)
• Refractive Index: 1.6330 (rough estimate)
• Boiling Point: 396.1oC at 760mmHg
• Flash Point: 189.9oC
• PSA: 0.00000
• Density: 1.658g/cm3
• LogP: 7.92740
• XLogP3: 7.1
• 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',5,6,6'-HEPTACHLOROBIPHENYL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

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

2,2',6,6'-tetrachlorobiphenyl (15968-05-5) → 2,2',3,3',5,5',6,6'-octachlorobiphenyl (2136-99-4) + 2,2',3,3',6,6'-hexachlorobiphenyl (38411-22-2) + 2,2',3,6,6'-Pentachlorobiphenyl (73575-54-9) + 2,2',3,3',5,6,6'-heptachlorobiphenyl (35065-29-3,52663-64-6)

Guidance literature:

With aluminium trichloride; sulfuryl dichloride; In dichloromethane; for 1h; Product distribution; Ambient temperature;

DOI:10.1080/00304949709355248

Reference yield:

2,2',6,6'-tetrachlorobiphenyl (15968-05-5) → 2,2',3,3',6,6'-hexachlorobiphenyl (38411-22-2) + 2,2',3,6,6'-Pentachlorobiphenyl (73575-54-9) + PCB 104 (56558-16-8) + 2,2',3,3',5,6,6'-heptachlorobiphenyl (35065-29-3,52663-64-6)

Guidance literature:

With aluminium trichloride; sulfuryl dichloride; In dichloromethane; for 1h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

DOI:10.1080/00304949709355248

Reference yield:

1,3-dichloro-2-iodobenzene (19230-28-5) → 2,2',3,3',5,6,6'-heptachlorobiphenyl (35065-29-3,52663-64-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 59 percent / Cu / 288 h / 230 °C

2: SO₂Cl₂, AlCl₃ / CH₂Cl₂ / 1 h / Ambient temperature

With aluminium trichloride; sulfuryl dichloride; copper; In dichloromethane;

DOI:10.1080/00304949709355248

upstream raw materials:

2,2',6,6'-tetrachlorobiphenyl

2,3,5,6-tetrachloroaniline

1,2,4-Trichlorobenzene

1,3-dichloro-2-iodobenzene

Refernces

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