3,4',5-Trichlorobiphenyl

Base Information

• Chemical Name: 3,4',5-Trichlorobiphenyl
• CAS No.: 38444-88-1
• Molecular Formula: C₁₂H₇Cl₃
• Molecular Weight: 257.547
• Hs Code.: 2903999090
• UNII: P695727OP2
• DSSTox Substance ID: DTXSID40865913
• Nikkaji Number: J431.684C
• Wikidata: Q27286279
• Mol file: 38444-88-1.mol

Synonyms:3,4',5-TRICHLOROBIPHENYL;38444-88-1;PCB 39;1,3-dichloro-5-(4-chlorophenyl)benzene;1,1'-Biphenyl, 3,4',5-trichloro-;3,4',5-Trichloro-1,1'-biphenyl;UNII-P695727OP2;P695727OP2;SCHEMBL4246853;DTXSID40865913;CS-0452040;Q27286279

Chemical Property of 3,4',5-Trichlorobiphenyl

Chemical Property:

• Melting Point: 88°C
• Refractive Index: 1.6040 (rough estimate)
• Boiling Point: 351.1°Cat760mmHg
• Flash Point: 243°C
• PSA: 0.00000
• Density: 1.351g/cm³
• LogP: 5.31380
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 255.961333
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

99%min ^*data from raw suppliers

3,4'',5-Trichlorobiphenyl ^*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=CC(=CC=C1C2=CC(=CC(=C2)Cl)Cl)Cl
• Uses: 3,4'',5-Trichlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

Technology Process of 3,4',5-Trichlorobiphenyl

There total 11 articles about 3,4',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: 94.0%

1-bromo-3,5-dichlorobenzene (19752-55-7) + 4-Chlorophenylboronic acid (1679-18-1) → 3,4',5-trichlorobiphenyl (38444-88-1)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; toluene; at 80 ℃; Formation of xenobiotics;

DOI:10.1016/S0045-6535(00)00546-4

Reference yield: 93.0%

3,5-dichloroiodobenzene (3032-81-3) + 4-Chlorophenylboronic acid (1679-18-1) → 3,4',5-trichlorobiphenyl (38444-88-1)

Guidance literature:

3,5-dichloroiodobenzene; 4-Chlorophenylboronic acid; With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In benzene; at 25 ℃; for 12h;

With dihydrogen peroxide; In benzene; at 25 ℃; for 0.75h;

DOI:10.1002/ejoc.200500553

Reference yield: 47.0%

3,5,4'-trichloro-biphenyl-4-ylamine (380599-69-9) → 3,4',5-trichlorobiphenyl (38444-88-1)

Guidance literature:

3,5,4'-trichloro-biphenyl-4-ylamine; With sulfuric acid; sodium nitrite;

With hypophosphorous acid; Formation of xenobiotics;

DOI:10.1016/S0045-6535(00)00546-4

upstream raw materials:

3,5,4'-trichloro-biphenyl-4-ylamine

4-chloro-aniline

1,3-Dichlorobenzene

1-bromo-3,5-dichlorobenzene

Refernces

• 1、 Heiss, Christophe,Cottet, Fabrice,Schlosser, Manfred. "meta- rather than ortho-directed metalations: Buttressing effects prejudicing the proton abstraction from (2,6-dihalophenyl)silanes". . p. 5236 - 5241. Retrieved 2007/10/03.
• 2、 Bolgar,et al.. "Physical, spectral and chromatographic properties of all 209 individual PCB congeners". . p. 2687 - 2705. Retrieved 2007/10/03.