2,2',3,6,6'-Pentachlorobiphenyl

Base Information

• Chemical Name: 2,2',3,6,6'-Pentachlorobiphenyl
• CAS No.: 73575-54-9
• Molecular Formula: C12H5 Cl5
• Molecular Weight: 326.437
• UNII: K42VE4HVAP
• DSSTox Substance ID: DTXSID5074216
• Nikkaji Number: J164.830F
• Wikidata: Q27281931
• Mol file: 73575-54-9.mol

Synonyms:2,2',3,6,6'-Pentachlorobiphenyl;73575-54-9;1,2,4-trichloro-3-(2,6-dichlorophenyl)benzene;2,2'3,6,6'-PENTACHLOROBIPHENYL;UNII-K42VE4HVAP;K42VE4HVAP;PCB 96;2,2',3,6,6'-Pentachloro-1,1'-biphenyl;1,1'-Biphenyl, 2,2',3,6,6'-pentachloro-;PCB-96;SCHEMBL4447158;DTXSID5074216;Q27281931;5-AMINO-1-CYCLOPROPYL-6,7-DIFLUORO-1,4-DIHYDRO-8-METHYL-4-OXO-3-QUINOLINECARBOCYLICACID

Chemical Property of 2,2',3,6,6'-Pentachlorobiphenyl

Chemical Property:

• Melting Point: 95.86°C (estimate)
• Refractive Index: 1.6200 (rough estimate)
• Boiling Point: 412.3°C (rough estimate)
• Flash Point: 158.2oC
• PSA: 0.00000
• Density: 1.5220 (rough estimate)
• LogP: 6.62060
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 325.880439
• Heavy Atom Count: 17
• Complexity: 249

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

2,2',3,6,6'-PENTACHLOROBIPHENYL 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(=C1)Cl)C2=C(C=CC(=C2Cl)Cl)Cl)Cl
• Uses: 2,2'',3,6,6''-Pentachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

Technology Process of 2,2',3,6,6'-Pentachlorobiphenyl

There total 3 articles about 2,2',3,6,6'-Pentachlorobiphenyl 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',3,3',6,6'-hexachlorobiphenyl (38411-22-2) → biphenyl (92-52-4,1594-86-1) + 2,6-dichlorobiphenyl (33146-45-1) + 2,2',5,5'-Tetrachlorobiphenyl (35693-99-3,80333-68-2) + 2,3,6,2',5'-pentachlorobiphenyl (38379-99-6,151262-34-9,151262-35-0) + 2,2',3,6,6'-Pentachlorobiphenyl (73575-54-9) + 2,2'-Dichlorobiphenyl (13029-08-8)

Guidance literature:

With poly(sodium styrenesulfonate-co-2-vinylnaphthalene); In water; for 24h; Product distribution; Mechanism; Irradiation; var. time, solvent and concentration of HCB, several additional products;

DOI:10.1021/ja00001a036

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

upstream raw materials:

2,2',3,3',6,6'-hexachlorobiphenyl

2,2',6,6'-tetrachlorobiphenyl

Refernces

• 1、 Nowakowska,Sustar,Guillet. "Studies of the antenna effect in polymer molecules. 23. Photosensitized dechlorination of 2,2′,3,3′,6,6′-hexachlorobiphenyl solubilized in an aqueous solution of poly(sodium styrenesulfonate-co-2-vinylnaphthalene)". . p. 253 - 258. Retrieved 2007/10/02.