2,2',3,3',4,4',5,5'-Octachlorobiphenyl

Base Information

• Chemical Name: 2,2',3,3',4,4',5,5'-Octachlorobiphenyl
• CAS No.: 35694-08-7
• Molecular Formula: C12H2 Cl8
• Molecular Weight: 429.772
• Hs Code.: 2903999090
• European Community (EC) Number: 621-527-8
• UNII: 9UJN9A379B
• DSSTox Substance ID: DTXSID5074139
• Nikkaji Number: J150.414B
• Wikidata: Q27273241
• Mol file: 35694-08-7.mol

Synonyms:2,2',3,3',4,4',5,5'-OCTACHLOROBIPHENYL;35694-08-7;PCB 194;2,2',3,3',4,4',5,5'-Octachloro-1,1'-biphenyl;1,1'-Biphenyl, 2,2',3,3',4,4',5,5'-octachloro-;1,2,3,4-tetrachloro-5-(2,3,4,5-tetrachlorophenyl)benzene;2,3,4,5,2',3',4',5'-Octachlorobiphenyl;UNII-9UJN9A379B;9UJN9A379B;Tetrachloro(tetrachlorophenyl)benzene;PCB 194 (2,2',3,3',4,4',5,5'-Octachlorobiphenyl);PCB-194;PCB No. 194;SCHEMBL2230314;DTXSID5074139;2,2,3,3,4,4,5,5-Octachlorobiphenyl;LS-44453;PCB No. 194 10 microg/mL in Isooctane;CS-0451611;2,2',3,3',4,4',5,5'-Octachlorbiphenyl;2,2/',3,3/',4,4/',5,5/'-Octachlorobiphenyl;Q27273241;2,2',3,3',4,4',5,5'-Octachloro-1,1'-biphenyl #

Chemical Property of 2,2',3,3',4,4',5,5'-Octachlorobiphenyl

Chemical Property:

• Melting Point: 159°C
• Refractive Index: 1.6380 (rough estimate)
• Boiling Point: 451.6°Cat760mmHg
• Flash Point: 227.9°C
• PSA: 0.00000
• Density: 1.716g/cm³
• LogP: 8.58080
• Water Solubility.: 0.272ug/L(25 oC)
• XLogP3: 8.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 429.760571
• Heavy Atom Count: 20
• Complexity: 307

Purity/Quality:

98%Min ^*data from raw suppliers

2,2'',3,3'',4,4'',5,5''-Octachlorobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,2',3,3',4,4',5,5'-Octachlorobiphenyl

There total 2 articles about 2,2',3,3',4,4',5,5'-Octachlorobiphenyl 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: 100.0%

perchloro(2,2'-biphenylene)diphenylsilane (128083-20-5) → pentachlorobenzene (608-93-5) + PCB 194 (35694-08-7)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; for 5h; Heating;

DOI:10.1016/0022-328X(90)80062-5

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;

upstream raw materials:

perchloro(2,2'-biphenylene)diphenylsilane

Refernces

• 1、 Fajari, Lluis,Julia, Luis,Riera, Juan,Molins, Elies,Miravitlles, Carlos. "An unusual cyclization reaction in the chemistry of perchloroorganic compounds of silicon and germanium. Synthesis and crystal structure of perchloro(2,2'-biphenylene)diphenyl-silane and -germane". . p. 321 - 332. Retrieved 2007/10/02.