3,4,4'-Trichlorobiphenyl

Base Information

• Chemical Name: 3,4,4'-Trichlorobiphenyl
• CAS No.: 38444-90-5
• Molecular Formula: C12H7 Cl3
• Molecular Weight: 257.547
• Hs Code.: 2903999010
• UNII: XU26WI08F0
• DSSTox Substance ID: DTXSID00865914
• Nikkaji Number: J435.372B
• Wikidata: Q27293997
• Mol file: 38444-90-5.mol

Synonyms:3,4,4'-TRICHLOROBIPHENYL;38444-90-5;PCB 37;3,4,4'-Trichloro-1,1'-biphenyl;1,2-dichloro-4-(4-chlorophenyl)benzene;1,1'-Biphenyl, 3,4,4'-trichloro-;1,1'-Biphenyl,3,4,4'-trichloro-;UNII-XU26WI08F0;3,4,4/'-Trichlorobiphenyl;XU26WI08F0;3,4,4-Trichlorobiphenyl;PCB-37;SCHEMBL1520954;DTXSID00865914;3,4,4'-Trichloro-1,1'-biphenyl #;CS-0452041;FT-0699625;Q27293997

Chemical Property of 3,4,4'-Trichlorobiphenyl

Chemical Property:

• Melting Point: 87°C
• Refractive Index: 1.6040 (rough estimate)
• Boiling Point: 350 °C at 760 mmHg
• Flash Point: 242.2 °C
• PSA: 0.00000
• Density: 1.351 g/cm³
• LogP: 5.31380
• Water Solubility.: 15.2ug/L(25 oC)
• XLogP3: 5.9
• 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

3,4,4''-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(=C(C=C2)Cl)Cl)Cl
• Uses: 3,4,4''-Trichlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

Technology Process of 3,4,4'-Trichlorobiphenyl

There total 2 articles about 3,4,4'-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:

→ 33'44'55'-hexachlorinated biphenyl (32774-16-6) + 2,2',3,3',4,5,5',6,6'-nonachlorobiphenyl (52663-77-1) + 33'44'-tetrachlorinated biphenyl (32598-13-3) + 2,2',6,6'-tetrachlorobiphenyl (15968-05-5) + 2,4,6,2',4',6'-hexachlorobiphenyl (33979-03-2) + 2,2',3,3',5,5',6,6'-octachlorobiphenyl (2136-99-4) + 2,2',6-trichlorobiphenyl (38444-73-4) + 2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl (40186-72-9) + 3,4,4'-trichlorobiphenyl (38444-90-5) + 33'44'5-pentachlorinated biphenyl (57465-28-8) + PCB 104 (56558-16-8) + 2,2',3,3',4,6,6'-heptachlorobiphenyl (52663-65-7) + 2,3,3',4,4',5,5'-heptachlorobiphenyl (39635-31-9)

Guidance literature:

Purification / work up;

Reference yield:

33'44'-tetrachlorinated biphenyl (32598-13-3) → m-chlorobiphenyl (2051-61-8) + PCB 11 (2050-67-1) + 3,4,4'-trichlorobiphenyl (38444-90-5) + 3,3',4-trichlorobiphenyl (37680-69-6)

Guidance literature:

With iron; In water; at 250 ℃; under 75006 Torr; Product distribution;

DOI:10.1021/es990689b

Reference yield:

3,4,4'-trichlorobiphenyl (38444-90-5) → biphenyl (92-52-4,1594-86-1)

Guidance literature:

With borane-ammonia complex; In water; isopropyl alcohol; at 50 ℃; for 5h; Sealed tube;

DOI:10.1002/cssc.201800289

upstream raw materials:

33'44'-tetrachlorinated biphenyl

Downstream raw materials:

biphenyl

Refernces

• 1、 Yak, Hwa K.,Lang, Qingyong,Wai, Chien M.. "Relative resistance of positional isomers of polychlorinated biphenyls toward reductive dechlorination by zerovalent iron in subcritical water". . p. 2792 - 2798. Retrieved 2007/10/03.