2,4',5-Trichlorobiphenyl

Base Information

• Chemical Name: 2,4',5-Trichlorobiphenyl
• CAS No.: 16606-02-3
• Deprecated CAS: 63439-93-0
• Molecular Formula: C12H7 Cl3
• Molecular Weight: 257.547
• Hs Code.: 2903999090
• European Community (EC) Number: 621-296-3
• UNII: 1ZNA5F571U
• DSSTox Substance ID: DTXSID9073410
• Nikkaji Number: J70.046K
• Wikidata: Q27253342
• Mol file: 16606-02-3.mol

Synonyms:2,4',5-trichlorobiphenyl;2,5,4'-trichlorobiphenyl;Delor 103;Delor-103;PCB 31

Chemical Property of 2,4',5-Trichlorobiphenyl

Chemical Property:

• Melting Point: 67℃
• Refractive Index: 1.6040 (rough estimate)
• Boiling Point: 334.36°C (rough estimate)
• Flash Point: 227.3oC
• PSA: 0.00000
• Density: 1.3510 (rough estimate)
• LogP: 5.31380
• Water Solubility.: 0.11mg/L(22.5 oC)
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 255.961333
• Heavy Atom Count: 15
• Complexity: 199

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: N,Xn
• Statements: 33-50/53
• Safety Statements: 35-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=C(C=CC(=C2)Cl)Cl)Cl

Technology Process of 2,4',5-Trichlorobiphenyl

There total 11 articles about 2,4',5-Trichlorobiphenyl 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: 81.5%

2,5-dichloroiodobenzene (29682-41-5) + 4-Chlorophenylboronic acid (1679-18-1) → 2,4',5-Trichlorobiphenyl (16606-02-3)

Guidance literature:

With C₂₀H₂₉Cl₂N₅O₂Pd; potassium carbonate; In ethanol; at 78 - 83 ℃; for 2.5h;

DOI:10.1134/S1070363217080023

Reference yield: 61.0%

2-bromo-1,4-dichlorobenzene (1435-50-3) + 4-Chlorophenylboronic acid (1679-18-1) → 2,4',5-Trichlorobiphenyl (16606-02-3)

Guidance literature:

With sodium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; ethanol; Heating;

DOI:10.1016/j.chemosphere.2004.04.035

Reference yield:

para-dichlorobenzene (106-46-7,84348-21-0) → 2-hydroxydibenzofuran (86-77-1) + 2,4',5-Trichlorobiphenyl (16606-02-3) + 4,4'-dichlorobiphenyl (2050-68-2) + 3''-chloro-2,5-dihydroxy-p-terphenyl

Guidance literature:

In water; Further byproducts given; UV-irradiation;

DOI:10.1139/v01-091

upstream raw materials:

2-(4'-aminophenyl)-4-chloroaniline

para-dichlorobenzene

p-chlorobenzenediazonium tetrafluoroborate

bis(4-chlorobenzoyl)peroxide

Downstream raw materials:

2,4'-dichlorobiphenyl

3,4'-dichlorobiphenyl

2,5-dichlorobiphenyl

biphenyl

Refernces

• 1、 Bergmann,Wachtmeister. "-". . p. 759,763. Retrieved 1977.
• 2、 Kania-Korwel, Izabela,Parkin, Sean,Robertson, Larry W.,Lehmler, Hans-Joachim. "Synthesis of polychlorinated biphenyls and their metabolites with a modified Suzuki-coupling". . p. 735 - 744. Retrieved 2007/10/03.