3,3',4,4',5,5'-Hexachlorobiphenyl

Base Information

• Chemical Name: 3,3',4,4',5,5'-Hexachlorobiphenyl
• CAS No.: 32774-16-6
• Molecular Formula: C12H4 Cl6
• Molecular Weight: 360.882
• Hs Code.: 2903999090
• European Community (EC) Number: 215-648-1,682-345-2
• UN Number: 2315
• UNII: T2P1WH546D
• DSSTox Substance ID: DTXSID2038314
• Nikkaji Number: J79.027C
• Wikidata: Q22137042
• ChEMBL ID: CHEMBL14658
• Mol file: 32774-16-6.mol

Synonyms:3,3',4,4',5,5'-hexachlorobiphenyl;3,4,5,3',4',5'-hexachlorobiphenyl;PCB 169;PCB-169;PCB169

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

Chemical Property:

• Melting Point: 202°C
• Refractive Index: 1.6270 (rough estimate)
• Boiling Point: 446.99°C (rough estimate)
• PSA: 0.00000
• Density: 1.5940 (rough estimate)
• LogP: 7.27400
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 359.841466
• Heavy Atom Count: 18
• Complexity: 234

Purity/Quality:

NLT 98% ^*data from raw suppliers

3,3'',4,4'',5,5''-Hexachlorobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB,Other Classes -> Halogenated Polyaromatics
• Canonical SMILES: C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl
• Uses: 3,3'',4,4'',5,5''-Hexachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

Technology Process of 3,3',4,4',5,5'-Hexachlorobiphenyl

There total 3 articles about 3,3',4,4',5,5'-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:

artificial municipal solid waste; polyvinyl chloride; mixture of → carbon dioxide (124-38-9,18923-20-1) + 33'44'55'-hexachlorinated biphenyl (32774-16-6) + 33'44'-tetrachlorinated biphenyl (32598-13-3) + 33'44'5-pentachlorinated biphenyl (57465-28-8)

Guidance literature:

With air; at 700 ℃; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics;

DOI:10.1016/S0045-6535(00)00155-7

Reference yield:

→ 33'44'55'-hexachlorinated biphenyl (32774-16-6) + 2,2',3,3',4,5,5',6,6'-nonachlorobiphenyl (52663-77-1) + 33'44'-tetrachlorinated biphenyl (32598-13-3) + 2,2',6,6'-tetrachlorobiphenyl (15968-05-5) + 2,4,6,2',4',6'-hexachlorobiphenyl (33979-03-2) + 2,2',3,3',5,5',6,6'-octachlorobiphenyl (2136-99-4) + 2,2',6-trichlorobiphenyl (38444-73-4) + 2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl (40186-72-9) + 3,4,4'-trichlorobiphenyl (38444-90-5) + 33'44'5-pentachlorinated biphenyl (57465-28-8) + PCB 104 (56558-16-8) + 2,2',3,3',4,6,6'-heptachlorobiphenyl (52663-65-7) + 2,3,3',4,4',5,5'-heptachlorobiphenyl (39635-31-9)

Guidance literature:

Purification / work up;

Reference yield:

extracted fly ash → 33'44'55'-hexachlorinated biphenyl (32774-16-6) + PCB 157 (69782-90-7) + 2,3,3',4,4',5,5'-heptachlorobiphenyl (39635-31-9) + hexachlorinated biphenyls; mixture of

Guidance literature:

With oxygen; pyrographite; sodium chloride; at 340 ℃; Further Variations:; percentage of O2 in N2+O2 mixture; Product distribution; Formation of xenobiotics;

DOI:10.1016/S0045-6535(00)00433-1

Refernces

• 1、 Wikstroem,Marklund. "The influence of level and chlorine source on the formation of mono- to octa-chlorinated dibenzo-p-dioxins, dibenzofurans and coplanar polychlorinated biphenyls during combustion of an artificial municipal waste". . p. 227 - 234. Retrieved 2007/10/03.