3,5-Dichlorobiphenyl

Base Information

• Chemical Name: 3,5-Dichlorobiphenyl
• CAS No.: 34883-41-5
• Molecular Formula: C12H8 Cl2
• Molecular Weight: 223.102
• Hs Code.: 2903999010
• European Community (EC) Number: 630-495-4
• UNII: IXL47709VM
• DSSTox Substance ID: DTXSID5074137
• Nikkaji Number: J147.960A
• Wikidata: Q27115992
• Metabolomics Workbench ID: 54964
• ChEMBL ID: CHEMBL125602
• Mol file: 34883-41-5.mol

Synonyms:3,5-dichloro-1,1'-biphenyl;3,5-dichlorobiphenyl

Chemical Property of 3,5-Dichlorobiphenyl

Chemical Property:

• Vapor Pressure: 0.000487mmHg at 25°C
• Melting Point: 62℃
• Refractive Index: 1.6257 (589.3 nm 25℃)
• Boiling Point: 323.7°Cat760mmHg
• Flash Point: 149.7°C
• PSA: 0.00000
• Density: 1.249g/cm³
• LogP: 4.66040
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 222.0003056
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

98%Min ^*data from raw suppliers

3,5-Dichlorobiphenyl ^*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=C(C=C1)C2=CC(=CC(=C2)Cl)Cl
• Uses: 3,5-Dichlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

Technology Process of 3,5-Dichlorobiphenyl

There total 9 articles about 3,5-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: 97.0%

bromobenzene (108-86-1,52753-63-6) + (3,5-dichlorophenyl)boronic acid (67492-50-6) → 3,5-dichlorobiphenyl (34883-41-5)

Guidance literature:

With Pd/C; potassium carbonate; In water; N,N-dimethyl-formamide; at 40 ℃; for 2.5h;

DOI:10.1055/s-0033-1341084

Reference yield: 97.0%

2,2,2-trifluoroethyl(phenyl)iodonium trifluoromethanesulfonate (100422-07-9) + (3,5-dichlorophenyl)boronic acid (67492-50-6) → 3,5-dichlorobiphenyl (34883-41-5)

Guidance literature:

With bis(tri-t-butylphosphine)palladium⁽⁰⁾; caesium carbonate; In N,N-dimethyl-formamide; at 40 ℃; for 48h; Glovebox; Sealed tube; Inert atmosphere;

DOI:10.1039/c6ob01384h

Reference yield: 87.0%

iodobenzene (591-50-4) + (3,5-dichlorophenyl)boronic acid (67492-50-6) → 3,5-dichlorobiphenyl (34883-41-5)

Guidance literature:

With dichlorido(2,2'-(4-phenoxy-1,2-phenylene)bis(4,4-dimethyl-4,5-dihydrooxazole)-N,N')palladium(II); potassium carbonate; In N,N-dimethyl-formamide; at 70 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.poly.2013.12.023

upstream raw materials:

1,3,5-trichlorobenzene

benzene

1-bromo-3,5-dichlorobenzene

iodobenzene

Downstream raw materials:

m-chlorobiphenyl

biphenyl

1-phenyl-1-cyclohexane

acetone

Refernces

• 1、 Yang, Jing,Han, Qiu-Yan,Zhao, Cheng-Long,Dong, Tao,Hou, Zhi-Yuan,Qin, Hua-Li,Zhang, Cheng-Pan. "Pd-catalyzed divergent trifluoroethylation and arylation of arylboronic acids by aryl(2,2,2-trifluoroethyl)iodonium triflates". supporting information. p. 7654 - 7658. Retrieved 2016/08/24.
• 2、 Zhou, He-Ping,Liu, Jin-Biao,Yuan, Jian-Jun,Peng, Yi-Yuan. "Palladium-catalyzed Suzuki cross-couplings of N′-mesyl arylhydrazines via C-N bond cleavage". . p. 25576 - 25579. Retrieved 2014/07/07.