2-Chlorobiphenyl

Base Information

• Chemical Name: 2-Chlorobiphenyl
• CAS No.: 2051-60-7
• Molecular Formula: C12H9 Cl
• Molecular Weight: 188.656
• Hs Code.: 2903999090
• European Community (EC) Number: 248-405-3,218-125-6
• NSC Number: 67354
• UNII: 2E08SP4D3P
• DSSTox Substance ID: DTXSID6040298
• Nikkaji Number: J47.940C
• Wikidata: Q22137046
• Metabolomics Workbench ID: 54956
• ChEMBL ID: CHEMBL191745
• Mol file: 2051-60-7.mol

Synonyms:2-chlorobiphenyl;2-chlorodiphenyl

Chemical Property of 2-Chlorobiphenyl

Chemical Property:

• Appearance/Colour: powder
• Melting Point: 32-34ºC
• Refractive Index: 1.5830 (estimate)
• Boiling Point: 274 °C at 760 mmHg
• Flash Point: 115.9 °C
• PSA: 0.00000
• Density: 1.131 g/cm³
• LogP: 4.00700
• Storage Temp.: Room Temperature
• Solubility.: Chloroform, DMSO (Sparingly), Methanol (Slightly)
• Water Solubility.: 7.8mg/L(25 oC)
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 188.0392780
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

2-Chlorobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XiN
• Hazard Codes: Xi,N
• 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=C2Cl
• Uses: 2-Chlorobiphenyl can be used to treat TP receptor antagonists.

Technology Process of 2-Chlorobiphenyl

There total 130 articles about 2-Chlorobiphenyl 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: 100.0%

2-bromo-1-chlorobenzene (694-80-4) + phenylboronic acid (98-80-6) → 2-chloro-1,1'-biphenyl (2051-60-7,108321-69-3)

Guidance literature:

With potassium phosphate; palladium diacetate; In water; N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.1021/jo701308b

Reference yield: 98.0%

iodobenzene (591-50-4) + 2-Chlorobenzeneboronic acid (3900-89-8) → 2-chloro-1,1'-biphenyl (2051-60-7,108321-69-3)

Guidance literature:

With triethylamine; In 1,4-dioxane; water; at 100 ℃; for 0.5h; Microwave irradiation; Green chemistry;

DOI:10.1002/cctc.201501225

Reference yield: 96.0%

2-Biphenylboronic acid (4688-76-0) → 2-chloro-1,1'-biphenyl (2051-60-7,108321-69-3)

Guidance literature:

With N-chloro-succinimide; copper(l) chloride; In acetonitrile; at 80 ℃; for 4h;

DOI:10.1021/0l9029337

upstream raw materials:

pyridine

chlorobenzene

dibenzoyl peroxide

biphenyl

Downstream raw materials:

biphenyl-3-yl-trichloro-silane

4-(trichlorosilyl)biphenyl

tris-biphenyl-2-yl-phosphine

2,2''-oxydi-1,1'-biphenyl

Refernces

• 1、 Burukin, Alexander S.,Vasil'ev, Andrei A.,Zhdankina, Galina M.,Zlotin, Sergei G.. "Buchwald ligand-assisted Suzuki cross-coupling of polychlorobenzenes". . p. 400 - 402. Retrieved 2021/06/07.
• 2、 Hosseini, Raziyeh,Mohammadiannejad, Kazem,Ranjbar-Karimi, Reza. "3,3'-((Arylmethylene)bis(4-methoxy-3,1-phenylene)) dipyridine derivatives as convenient ligands for Suzuki–Miyaura chemo- and homoselective cross-coupling reactions". . . Retrieved 2021/08/25.