2,4'-Dichlorobiphenyl

Base Information

• Chemical Name: 2,4'-Dichlorobiphenyl
• CAS No.: 34883-43-7
• Molecular Formula: C12H8 Cl2
• Molecular Weight: 223.102
• Hs Code.: 2903999010
• European Community (EC) Number: 681-934-1,684-162-3
• UNII: TTP086070W
• DSSTox Substance ID: DTXSID0022511
• Nikkaji Number: J88.975J
• Wikidata: Q27115929
• Metabolomics Workbench ID: 54946
• ChEMBL ID: CHEMBL195890
• Mol file: 34883-43-7.mol

Synonyms:2,4'-dichloro-1,1'-biphenyl;2,4'-dichlorobiphenyl;2,4'-dichlorobiphenyl, 14C-labeled

Chemical Property of 2,4'-Dichlorobiphenyl

Chemical Property:

• Melting Point: 46°C
• Refractive Index: 1.5940 (rough estimate)
• Boiling Point: 303.3°Cat760mmHg
• Flash Point: 133.6°C
• PSA: 0.00000
• Density: 1.249g/cm³
• LogP: 4.66040
• Storage Temp.: 2-8°C
• Water Solubility.: 0.62mg/L(25 oC)
• XLogP3: 5.1
• 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:

99% ^*data from raw suppliers

2,4''-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=C(C=C2)Cl)Cl
• Uses: 2,4''-Dichlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

Technology Process of 2,4'-Dichlorobiphenyl

There total 32 articles about 2,4'-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: 99.0%

2-bromo-1-chlorobenzene (694-80-4) + 4-Chlorophenylboronic acid (1679-18-1) → 2,4'-dichlorobiphenyl (34883-43-7)

Guidance literature:

With dicyclohexyl-tert-butylphosphine; palladium diacetate; sodium carbonate; In cyclohexane; water; at 100 ℃; for 5h; Sealed tube; Inert atmosphere;

DOI:10.1039/d1gc02602j

Reference yield: 89.0%

biphenyl (92-52-4,1594-86-1) → 2-chloro-1,1'-biphenyl (2051-60-7,108321-69-3) + 2,4'-dichlorobiphenyl (34883-43-7) + 4,4'-dichlorobiphenyl (2050-68-2) + 4'-biphenyl chloride (2051-62-9,80333-62-6)

Guidance literature:

With chlorine; K-Zeolith L; In dichloromethane; at 20 ℃; for 6h; Product distribution; further zeolithes; further solvents and reaction conditions;

Reference yield: 64.0%

4-Chlorophenylboronic acid (1679-18-1) + 1,2-dichloro-benzene (95-50-1) → 2,4'-dichlorobiphenyl (34883-43-7)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; 1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane; In toluene; at 70 ℃; chemoselective reaction; Inert atmosphere;

DOI:10.1002/ejoc.201200160

upstream raw materials:

2,4'-diaminobiphenyl

3-chloro-4-(4-chlorophenyl)benzenamine

biphenyl

p-chlorobenzenediazonium tetrafluoroborate

Downstream raw materials:

biphenyl

Refernces

• 1、 Zhang, Xiting,Guo, Yan,Dallin, Erin,Ma, Jiani,Dai, Mingdong,Phillips, David Lee. "Unusual Acetonitrile Adduct Formed via Photolysis of 4′-Chloro-2-Hydroxybiphenyl in Aqueous Solution". supporting information. p. 11635 - 11640. Retrieved 2020/10/23.
• 2、 Kostenko,Eliseenkov,Petrov. "Regularities of Pd/C-catalyzed reduction of trichlorobiphenyls with 2-propanol in basic medium". . p. 1656 - 1662. Retrieved 2017/09/25.