2,3,4'-Trichlorobiphenyl

Base Information

• Chemical Name: 2,3,4'-Trichlorobiphenyl
• CAS No.: 38444-85-8
• Molecular Formula: C12H7 Cl3
• Molecular Weight: 257.547
• Hs Code.: 2903999010
• UNII: 1GT5EC8H71
• DSSTox Substance ID: DTXSID7091549
• Nikkaji Number: J488.465E
• Wikidata: Q27252399
• Mol file: 38444-85-8.mol

Synonyms:2,3,4'-TRICHLOROBIPHENYL;38444-85-8;1,2-dichloro-3-(4-chlorophenyl)benzene;2,3,4'-Trichloro-1,1'-biphenyl;2,3,4/'-Trichlorobiphenyl;1,1'-Biphenyl, 2,3,4'-trichloro-;1,1'-Biphenyl,2,3,4'-trichloro-;UNII-1GT5EC8H71;1GT5EC8H71;PCB 22;PCB-22;SCHEMBL4453342;DTXSID7091549;2,3,4'-Trichloro-1,1'-biphenyl #;Q27252399

Chemical Property of 2,3,4'-Trichlorobiphenyl

Chemical Property:

• Melting Point: 73°C
• Refractive Index: 1.6040 (rough estimate)
• Boiling Point: 335.6 °C at 760 mmHg
• Flash Point: 230.7 °C
• PSA: 0.00000
• Density: 1.351 g/cm3
• LogP: 5.31380
• Water Solubility.: 141.7ug/L(20 oC)
• 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: 199

Purity/Quality:

98%Min ^*data from raw suppliers

2,3,4'-TRICHLOROBIPHENYL 95.00% ^*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(=C(C(=C1)Cl)Cl)C2=CC=C(C=C2)Cl
• Uses: 2,3,4''-Trichlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

Technology Process of 2,3,4'-Trichlorobiphenyl

There total 5 articles about 2,3,4'-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: 40.0%

1,2-Dichloro-3-iodobenzene (2401-21-0) + 4-Chlorophenylboronic acid (1679-18-1) → 2,3,4'-trichlorobiphenyl (38444-85-8)

Guidance literature:

With (R,R)-N,N'-bis[(2-fluorophenyl)methyl]-1,2-cyclohexanediamine PdCl₂ complex; potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 24h; Aerobic conditions;

DOI:10.1002/ejoc.200800119

Reference yield:

1-Chloro-4-iodobenzene (637-87-6) + 1,2-Dichloro-3-iodobenzene (2401-21-0) → 2,3,4'-trichlorobiphenyl (38444-85-8)

Guidance literature:

With copper; In N,N-dimethyl-formamide; Heating;

DOI:10.1016/0045-6535(95)00140-4

Reference yield:

→ 2,3,4'-trichlorobiphenyl (38444-85-8)

Guidance literature:

With air; Formation of xenobiotics; Heating;

DOI:10.1021/es048745i

upstream raw materials:

4-chloro-aniline

1,2-dichloro-benzene

1-Chloro-4-iodobenzene

1,2-Dichloro-3-iodobenzene

Downstream raw materials:

biphenyl

Refernces

• 1、 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.