3,4-Dichlorobiphenyl

Base Information

• Chemical Name: 3,4-Dichlorobiphenyl
• CAS No.: 2974-92-7
• Molecular Formula: C12H8Cl2
• Molecular Weight: 223.102
• European Community (EC) Number: 630-498-0
• NSC Number: 249832
• UNII: PSW7P9K6HP
• DSSTox Substance ID: DTXSID6073310
• Nikkaji Number: J80.605F
• Wikidata: Q27286738
• Mol file: 2974-92-7.mol

Synonyms:3,4-DICHLOROBIPHENYL;2974-92-7;1,1'-Biphenyl, 3,4-dichloro-;Biphenyl, 3,4-dichloro-;3,4-Dichloro-1,1'-biphenyl;1,2-dichloro-4-phenylbenzene;UNII-PSW7P9K6HP;PSW7P9K6HP;NSC 249832;PCB 12;NSC-249832;3,1'-biphenyl;NSC249832;Biphenyl,4-dichloro-;1, 3,4-dichloro-;3,4-Dicb;Clc1cc(ccc1Cl)c2ccccc2;4-Phenyl-1,2-dichlorobenzene;SCHEMBL1443418;DTXSID6073310;PCB No 12, analytical standard;AKOS015901573;LS-44349;1,1'-Biphenyl, 3,4-dichloro- (9CI);E78065;Q27286738

Chemical Property of 3,4-Dichlorobiphenyl

Chemical Property:

• Vapor Pressure: 0.000523mmHg at 25°C
• Melting Point: 49.5°C
• Refractive Index: 1.594
• Boiling Point: 322.5 °C at 760 mmHg
• Flash Point: 148.8 °C
• PSA: 0.00000
• Density: 1.249 g/cm³
• LogP: 4.66040
• Water Solubility.: 7.92ug/L(25 oC)
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 222.0003056
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dichlorobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• 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: 3,4-Dichlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

Technology Process of 3,4-Dichlorobiphenyl

There total 8 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: 46.0%

PCB 61 (33284-53-6) → 3,4-dichlorobiphenyl (2974-92-7) + 2,3,5-trichlorobiphenyl (55720-44-0) + PCB 38 (53555-66-1) + PCB 76 (70362-48-0)

Guidance literature:

With eicosaethylene glycol hexadecyl ether; In water; for 0.00833333h; Further Variations:; Reagents; Quantum yield; Product distribution; Photolysis;

DOI:10.1021/es970960u

Reference yield:

1,2,4,5-tetrachlorobenzene (95-94-3) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3,4-dichlorobiphenyl (2974-92-7) + 2,4,5-trichlorobiphenyl (15862-07-4) + 1,2,4-Trichlorobenzene (120-82-1,63697-18-7)

Guidance literature:

at 25 ℃; for 40h; Irradiation;

DOI:10.1246/bcsj.62.3122

Reference yield:

4-bromo-1,2-dichlorobenzene (18282-59-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3,4-dichlorobiphenyl (2974-92-7) + 1,2-dichloro-benzene (95-50-1)

Guidance literature:

at 25 ℃; for 20h; Irradiation;

DOI:10.1246/bcsj.62.3122

upstream raw materials:

1,2,4,5-tetrachlorobenzene

benzene

4-bromo-1,2-dichlorobenzene

2,3,4-trichlorobiphenyl

Downstream raw materials:

biphenyl

m-chlorobiphenyl

4'-biphenyl chloride

acetone

Refernces

• 1、 Pandey, Garima,T?r?k, Béla. "K-10 montmorillonite-catalyzed solid phase diazotizations: Environmentally benign coupling of diazonium salts with aromatic hydrocarbons to biaryls". . p. 5390 - 5395. Retrieved 2017/11/22.
• 2、 Woods, Sandra L.,Trobaugh, Darin J.,Carter, Kim J.. "Polychlorinated biphenyl reductive dechlorination by vitamin B12s: Thermodynamics and regiospecificity". . p. 857 - 863. Retrieved 2007/10/03.