3,3',4,4',5-Pentachlorobiphenyl

Base Information

• Chemical Name: 3,3',4,4',5-Pentachlorobiphenyl
• CAS No.: 57465-28-8
• Molecular Formula: C12H5 Cl5
• Molecular Weight: 326.437
• European Community (EC) Number: 682-346-8
• UNII: TSH69IA9XF
• DSSTox Substance ID: DTXSID3032179
• Nikkaji Number: J164.843H
• Wikidata: Q26840924
• Pharos Ligand ID: L5Q6STL8T83U
• Metabolomics Workbench ID: 54962
• ChEMBL ID: CHEMBL342696
• Mol file: 57465-28-8.mol

Synonyms:3,3',4,4',5-pentachlorobiphenyl;3,4,3',4',5-pentachlorobiphenyl;3,4,5,3',4'-pentachlorobiphenyl;PCB 126;PCB-126

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

Chemical Property:

• Melting Point: 106°C
• Refractive Index: 1.6200 (rough estimate)
• Boiling Point: 409.2°Cat760mmHg
• Flash Point: 206.1°C
• PSA: 0.00000
• Density: 1.522g/cm³
• LogP: 6.62060
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 325.880439
• Heavy Atom Count: 17
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

3,3'',4,4'',5-Pentachlorobiphenyl ^*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: Other Classes -> Halogenated Polyaromatics
• Canonical SMILES: C1=CC(=C(C=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl

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

There total 10 articles about 3,3',4,4',5-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: 60.0%

3',4,4',5-tetrachloro-3-nitrobiphenyl (132639-88-4) → 33'44'5-pentachlorinated biphenyl (57465-28-8)

Guidance literature:

With tetrachloromethane; at 280 ℃; for 0.5h;

Reference yield:

artificial municipal solid waste; polyvinyl chloride; mixture of → carbon monoxide (201230-82-2) + 1,2,3,4,6,7,8,9-octachlorodibenzodioxin (3268-87-9) + 33'44'5-pentachlorinated biphenyl (57465-28-8) + polychlorinated dibenzodioxins; mixture of

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:

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

upstream raw materials:

3',4,4',5-tetrachloro-3-nitrobiphenyl

1,2-dichloro-benzene

3,4,5-trichloroaniline

1,2-Dichloro-3-nitrobenzene

Refernces

• 1、 Lee, Robert G. M.,Coleman, Peter,Jones, Joanne L.,Jones, Kevin C.,Lohmann, Rainer. "Emission factors and importance of PCDD/Fs, PCBs, PCNs, PAHs and PM 10 from the domestic burning of coal and wood in the U.K.". . p. 1436 - 1447. Retrieved 2007/10/03.
• 2、 Pekarek,Grabic,Marklund,Puncochar,Ullrich. "Effects of oxygen on formation of PCB and PCDD/F on extracted fly ash in the presence of carbon and cupric salt". . p. 777 - 782. Retrieved 2007/10/03.