3,4'-Dichlorobiphenyl

Base Information

• Chemical Name: 3,4'-Dichlorobiphenyl
• CAS No.: 2974-90-5
• Molecular Formula: C12H8 Cl2
• Molecular Weight: 223.102
• UNII: 3Q041BH8IG
• DSSTox Substance ID: DTXSID10863067
• Nikkaji Number: J80.604H
• Wikidata: Q27257881
• Mol file: 2974-90-5.mol

Synonyms:3,4'-DICHLOROBIPHENYL;2974-90-5;1,1'-Biphenyl, 3,4'-dichloro-;3,4'-Dichloro-1,1'-biphenyl;PCB 13;1-chloro-3-(4-chlorophenyl)benzene;3,4/'-Dichlorobiphenyl;UNII-3Q041BH8IG;3Q041BH8IG;1,1'-Biphenyl, ar,ar'-dichloro-;PCB No. 13;DTXSID10863067;33039-81-5;PCB-13;SCHEMBL1520884;DTXCID90811743;CJDNEKOMKXLSBN-UHFFFAOYSA-N;Q27257881;Biphenyl, 3,4'-dichloro- (7CI,8CI);3,4'-Dichlorobiphenyl;3,4'-DiCB

Chemical Property of 3,4'-Dichlorobiphenyl

Chemical Property:

• Boiling Point: 321.3°Cat760mmHg
• Flash Point: 147.8°C
• PSA: 0.00000
• Density: 1.249g/cm³
• LogP: 4.66040
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 222.0003056
• Heavy Atom Count: 14
• Complexity: 173

Purity/Quality:

NLT 98% ^*data from raw suppliers

3,4'-DICHLOROBIPHENYL 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(=CC(=C1)Cl)C2=CC=C(C=C2)Cl
• Uses: 3,4''-Dichlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

Technology Process of 3,4'-Dichlorobiphenyl

There total 20 articles about 3,4'-Dichlorobiphenyl 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: 70.0%

4-chloro-aniline (106-47-8) → 3,4'-dichlorobiphenyl (2974-90-5) + 4,4'-dichlorobiphenyl (2050-68-2) + chlorobenzene (108-90-7)

Guidance literature:

With n-Butyl nitrite; In diethyl ether; for 2h; Heating;

DOI:10.1002/recl.19951140703

Reference yield: 38.0%

4-chloro-aniline (106-47-8) → para-dichlorobenzene (106-46-7,84348-21-0) + 3,4'-dichlorobiphenyl (2974-90-5) + 4,4'-dichlorobiphenyl (2050-68-2) + chlorobenzene (108-90-7)

Guidance literature:

With tetrachloromethane; n-Butyl nitrite; at 60 ℃; for 1h;

DOI:10.1002/recl.19951140703

Reference yield: 14.4%

chlorobenzene (108-90-7) + phenol (108-95-2,27073-41-2) → 2,3'-dichloro-1,1'-biphenyl (25569-80-6) + 2,4'-dichlorobiphenyl (34883-43-7) + 3,4'-dichlorobiphenyl (2974-90-5) + 4,4'-dichlorobiphenyl (2050-68-2) + PCB 11 (2050-67-1) + 2,2'-Dichlorobiphenyl (13029-08-8)

Guidance literature:

With tert.-butylhydroperoxide; iodine; at 289.9 ℃; for 0.0272222h; Product distribution;

upstream raw materials:

p-chlorobenzenediazonium tetrafluoroborate

4-chloro-aniline

chlorobenzene

1,6-bis-(4-chlorophenyl)-3,4-diacetyl-1,5-hexazadiene

Downstream raw materials:

C₇₂H₅₀N₄

biphenyl

Refernces

• 1、 Kostenko,Eliseenkov,Petrov. "Regularities of Pd/C-catalyzed reduction of trichlorobiphenyls with 2-propanol in basic medium". . p. 1656 - 1662. Retrieved 2017/09/25.
• 2、 Minisci, Francesco,Coppa, Fausta,Fontana, Francesca,Pianese, Giuseppe,Zhao, Lihua. "Polar Effects in Reactions of Carbon-Centered Radicals with Diazonium Salts: Free-Radical Diazocoupling". . p. 3929 - 3933. Retrieved 2007/10/02.