2,2',5,5'-Tetrachlorobiphenyl

Base Information

• Chemical Name: 2,2',5,5'-Tetrachlorobiphenyl
• CAS No.: 35693-99-3
• Molecular Formula: C12H6 Cl4
• Molecular Weight: 291.992
• Hs Code.: 2903999090
• European Community (EC) Number: 621-615-6
• UNII: 1EH557950R
• DSSTox Substance ID: DTXSID3038305
• Nikkaji Number: J147.956C
• Wikidata: Q27115903
• Metabolomics Workbench ID: 54936
• ChEMBL ID: CHEMBL273933
• Mol file: 35693-99-3.mol

Synonyms:2,2',5,5'-tetrachlorobiphenyl;2,5,2',5'-tetrachlorobiphenyl;PCB 52

Chemical Property of 2,2',5,5'-Tetrachlorobiphenyl

Chemical Property:

• Melting Point: 87℃
• Refractive Index: 1.6120 (rough estimate)
• Boiling Point: 344.9 °C at 760 mmHg
• Flash Point: 161.9 °C
• PSA: 0.00000
• Density: 1.441 g/cm³
• LogP: 5.96720
• Storage Temp.: 2-8°C
• Water Solubility.: 109.5ug/L(25 oC)
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 291.919411
• Heavy Atom Count: 16
• Complexity: 209

Purity/Quality:

99.0%Min ^*data from raw suppliers

2,2'',5,5''-Tetrachlorobiphenyl ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,2',5,5'-Tetrachlorobiphenyl

There total 14 articles about 2,2',5,5'-Tetrachlorobiphenyl 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: 59.0%

(2,5-dichlorophenyl)hydrazine (305-15-7) → para-dichlorobenzene (106-46-7,84348-21-0) + 2,2',5,5'-Tetrachlorobiphenyl (35693-99-3,80333-68-2) + 2-(2,5-dichlorophenyl)pyridine (4381-30-0) + 4-(2,5-Dichloro-phenyl)-pyridine (4467-14-5)

Guidance literature:

With KO₂; In pyridine; for 10h; Further byproducts given; Ambient temperature;

Reference yield: 56.0%

C6H3BCl2F3(1-)*C10H15NPol(1+) → 2,2',5,5'-Tetrachlorobiphenyl (35693-99-3,80333-68-2)

Guidance literature:

With copper diacetate; In ethanol; water; dowex resin Sonication;

DOI:10.1016/j.tetlet.2013.05.102

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

upstream raw materials:

2,5-dichloroiodobenzene

2,5 dichloroaniline

para-dichlorobenzene

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

Downstream raw materials:

2-chloro-1,1'-biphenyl

2,5,2'-trichlorobiphenyl

2,5,3'-trichlorobiphenyl

2,2'-Dichlorobiphenyl

Refernces

• 1、 Musolino, Bryan,Quinn, Michael,Hall, Kelly,Coltuclu, Vitali,Kabalka, George W.. "Ultrasound induced, copper mediated homocoupling using polymer supported aryltrifluoroborates". . p. 4080 - 4082. Retrieved 2013/07/25.
• 2、 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.