2,2',4,5,5'-Pentachlorobiphenyl

Base Information

• Chemical Name: 2,2',4,5,5'-Pentachlorobiphenyl
• CAS No.: 37680-73-2
• Molecular Formula: C12H5Cl5
• Molecular Weight: 326.437
• European Community (EC) Number: 621-393-0
• UNII: 803YVI5BNP
• DSSTox Substance ID: DTXSID8038304
• Nikkaji Number: J147.958J
• Wikidata: Q27269110
• Metabolomics Workbench ID: 156011
• ChEMBL ID: CHEMBL14041
• Mol file: 37680-73-2.mol

Synonyms:2,2',4,5,5'-pentachlorobiphenyl;2,4,5,2',5'-pentachlorobiphenyl;PCB 101;PCB101

Chemical Property of 2,2',4,5,5'-Pentachlorobiphenyl

Chemical Property:

• Melting Point: 78℃
• Refractive Index: 1.6200 (rough estimate)
• Boiling Point: 371 °C at 760 mmHg
• Flash Point: 177.8 °C
• PSA: 0.00000
• Density: 1.522 g/cm³
• LogP: 6.62060
• Storage Temp.: 2-8°C
• Water Solubility.: 11ug/L(25 oC)
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 325.880439
• Heavy Atom Count: 17
• Complexity: 259

Purity/Quality:

98%Min ^*data from raw suppliers

2,2'',4,5,5''-Pentachlorobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N,Xn,F
• Hazard Codes: N,Xn,F
• Statements: 33-50/53-67-65-38-11
• Safety Statements: 35-60-61-62-16-33-29-9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl

Technology Process of 2,2',4,5,5'-Pentachlorobiphenyl

There total 2 articles about 2,2',4,5,5'-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:

artificial solid municipal waste → 2,4,4'-Trichlorobiphenyl (7012-37-5) + 2,2',5,5'-Tetrachlorobiphenyl (35693-99-3,80333-68-2) + 2,2',4,5,5'-Pentachlorobiphenyl (37680-73-2) + pentachlorinated biphenyls; mixture of (25429-29-2)

Guidance literature:

With air; at 780 ℃; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics;

DOI:10.1016/S0045-6535(00)00235-6

Reference yield:

→ 2,4,4'-Trichlorobiphenyl (7012-37-5) + 2,4',5-Trichlorobiphenyl (16606-02-3) + 2,2',4,4',5,5'-Hexachlorobiphenyl (35065-27-1,51908-10-2) + 2,2',5,5'-Tetrachlorobiphenyl (35693-99-3,80333-68-2) + 2',3,4-trichlorobiphenyl (38444-86-9) + 2,3,3',4,4'-pentachlorobiphenyl (32598-14-4) + 2,3,3',4,4',5,6-heptachlorobiphenyl (41411-64-7) + 2,3',4,4'-terachlorobiphenyl (32598-10-0) + 2,3',4,4',5-Pentachlorobiphenyl (31508-00-6) + 2,5,2'-trichlorobiphenyl (37680-65-2) + 2,5,3',4'-tetrachlorobiphenyl (32598-11-1) + 2,3,6,2',5'-pentachlorobiphenyl (38379-99-6,151262-34-9,151262-35-0) + 2,3,3',4,4',5-Hexachlorobiphenyl (38380-08-4) + PCB 149 (38380-04-0) + 2,2',3,3',4,4',5-Heptachlorobiphenyl (35065-30-6) + PCB 194 (35694-08-7) + 2,2',3,3',4,4',5',6-Octachlorobiphenyl (42740-50-1,207004-35-1,177020-15-4,177020-16-5) + 2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl (40186-72-9) + 2,2',3,5'-Tetrachlorobiphenyl (41464-39-5) + 2,3,3',4',6-Pentachlorobiphenyl (38380-03-9) + 2,2',4,5,5'-Pentachlorobiphenyl (37680-73-2) + 2,2',3,4,4',5'-Hexachlorobiphenyl (35065-28-2) + 2,2',3,4,4',5,5'-Heptachlorobiphenyl (35065-29-3) + PCB 174 (38411-25-5) + 2,2',3,4',5,5',6-Heptachlorobiphenyl (52663-68-0) + 2,2',3,3',4',5,5',6-octachlorobiphenyl (52663-75-9) + 2,3,3'-trichlorobiphenyl (38444-84-7) + 2,2',3,4',5-pentachlorobiphenyl (68194-07-0) + 2,2',3,4,4',5,5',6-octachlorobiphenyl (52663-76-0)

Guidance literature:

Purification / work up;

Reference yield:

2,2',4,5,5'-Pentachlorobiphenyl (37680-73-2) → 1,2,8-trichlorodibenzofuran (83704-34-1) + 2,3,6,8-tetrachlorodibenzofuran (57117-37-0) + 2,3,4,8-tetrachlorodibenzofuran (83704-32-9) + 1,4,7,8-tetrachlorodibenzofuran (83704-29-4) + 1,3,4,8-tetrachlorodibenzofuran (92341-04-3)

Guidance literature:

With oxygen; at 550 - 600 ℃; for 0.00138889h; Product distribution;

DOI:10.1021/ac00252a028

Downstream raw materials:

1,2,8-trichlorodibenzofuran

2,3,6,8-tetrachlorodibenzofuran

2,3,4,8-tetrachlorodibenzofuran

1,4,7,8-tetrachlorodibenzofuran

Refernces

• 1、 Liljelind, Per,Unsworth, John,Maaskant, Onno,Marklund, Stellan. "Removal of dioxins and related aromatic hydrocarbons from flue gas streams by adsorption and catalytic destruction". . p. 615 - 623. Retrieved 2007/10/03.