4'-Chloro-2-nitrobiphenyl

Base Information

• Chemical Name: 4'-Chloro-2-nitrobiphenyl
• CAS No.: 6271-80-3
• Molecular Formula: C12H8ClNO2
• Molecular Weight: 233.654
• European Community (EC) Number: 613-073-4
• NSC Number: 37064
• UNII: 4776X3QD3U
• DSSTox Substance ID: DTXSID30284391
• Nikkaji Number: J2.027.192B
• Wikidata: Q82019319
• Mol file: 6271-80-3.mol

Synonyms:4'-Chloro-2-nitrobiphenyl;6271-80-3;1-(4-chlorophenyl)-2-nitrobenzene;4'-CHLORO-2-NITRO-1,1'-BIPHENYL;1,1'-Biphenyl, 4'-chloro-2-nitro-;4776X3QD3U;NSC-37064;EC 613-073-4;NSC37064;2-nitro-4'-chlorobiphenyl;4-chloro-2'-nitrobiphenyl;UNII-4776X3QD3U;2-(4-chlorophenyl)nitrobenzene;SCHEMBL1721464;DTXSID30284391;NSC 37064;4-Chloro-2'-nitro-1,1'-biphenyl #

Chemical Property of 4'-Chloro-2-nitrobiphenyl

Chemical Property:

• Boiling Point: 352.7°Cat760mmHg
• Flash Point: 167.1°C
• Density: 1.308g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 233.0243562
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

Technology Process of 4'-Chloro-2-nitrobiphenyl

There total 4 articles about 4'-Chloro-2-nitrobiphenyl 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: 84.0%

bromochlorobenzene (106-39-8) + ortho-nitrobenzoic acid (552-16-9,104810-18-6) → 4'-chloro-2-nitrobiphenyl (6271-80-3) + nitrobenzene (98-95-3,26969-40-4)

Guidance literature:

ortho-nitrobenzoic acid; With copper(II) carbonate; In various solvent(s); at 120 ℃; for 0.5h;

bromochlorobenzene; With potassium fluoride; triphenylphosphine; palladium acetylacetonate; In various solvent(s); at 120 ℃; for 24h; Further stages.;

DOI:10.1021/ja068993+

Reference yield: 5.0%

bromochlorobenzene (106-39-8) + ortho-nitrobenzoic acid (552-16-9,104810-18-6) → 1-nitro-2-(2-nitrophenyl)benzene (2436-96-6) + 4,4'-dichlorobiphenyl (2050-68-2) + 4'-chloro-2-nitrobiphenyl (6271-80-3) + nitrobenzene (98-95-3,26969-40-4)

Guidance literature:

ortho-nitrobenzoic acid; With copper(II) carbonate; In various solvent(s); at 120 ℃; for 0.5h;

bromochlorobenzene; With triphenylphosphine; palladium acetylacetonate; In various solvent(s); at 120 ℃; for 24h; Further stages.;

DOI:10.1021/ja068993+

Reference yield:

4-Chlorophenylboronic acid (1679-18-1) + 2-Chloronitrobenzene (88-73-3) → 4'-chloro-2-nitrobiphenyl (6271-80-3) + nitrobenzene (98-95-3,26969-40-4)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium hydroxide; In tetrahydrofuran; water; at 160 ℃; for 0.25h; Microwave irradiation;

DOI:10.1002/adsc.201000646

upstream raw materials:

bromochlorobenzene

ortho-nitrobenzoic acid

4-Chlorophenylboronic acid

2-Chloronitrobenzene

Downstream raw materials:

2-(4-chlorophenyl)aniline

2-phenylaniline

2-chloro-9-(4-chlorophenyl)carbazole

2-chloro-9-phenylcarbazole

Refernces

• 1、 Glasnov, Toma N.,Kappe, C. Oliver. "Toward a continuous-flow synthesis of Boscalid". scheme or table. p. 3089 - 3097. Retrieved 2011/02/22.