2-Bromo-4-fluoro-1-nitrobenzene

Base Information

• Chemical Name: 2-Bromo-4-fluoro-1-nitrobenzene
• CAS No.: 700-36-7
• Molecular Formula: C6H3BrFNO2
• Molecular Weight: 219.998
• Hs Code.: 29049090
• European Community (EC) Number: 670-950-4
• DSSTox Substance ID: DTXSID60373681
• Nikkaji Number: J2.650.590I
• Wikidata: Q72456260
• Mol file: 700-36-7.mol

Synonyms:2-Bromo-4-fluoro-1-nitrobenzene;700-36-7;2-bromo-4-fluoronitrobenzene;1-Bromo-5-fluoro-2-nitrobenzene;Benzene, 2-bromo-4-fluoro-1-nitro-;4-fluoro-2-bromonitrobenzene;MFCD00792441;2-bromo-4-fluoro-1-nitro-benzene;SCHEMBL40024;1-bromo 5-fluoro 2-nitrobenzene;DTXSID60373681;1-Nitro-2-bromo-4-fluorobenzene;VGYVBEJDXIPSDL-UHFFFAOYSA-N;CS-D1760;AKOS005254730;AM61651;GS-4439;SY023139;A9257;B3061;FT-0647522;EN300-45529;A836745;J-508284;2-Bromo-4-fluoronitrobenzene;7-BROMO-2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXINE-5-CARBOXALDEHYDE97

Chemical Property of 2-Bromo-4-fluoro-1-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.139mmHg at 25°C
• Melting Point: 44 °C
• Refractive Index: 1.579
• Boiling Point: 224 °C at 760 mmHg
• Flash Point: 89.3 °C
• PSA: 45.82000
• Density: 1.808 g/cm³
• LogP: 3.01960
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 218.93312
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-4-fluoro-1-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)Br)[N+](=O)[O-]

Technology Process of 2-Bromo-4-fluoro-1-nitrobenzene

There total 6 articles about 2-Bromo-4-fluoro-1-nitrobenzene 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%

4-fluoroaniline (371-40-4) → 2-bromo-4-fluoronitrobenzene (700-36-7)

Guidance literature:

With N-Bromosuccinimide; In dichloromethane; at 0 - 20 ℃;

Reference yield: 90.0%

2-bromo-4-fluoroaniline (1003-98-1) → 2-bromo-4-fluoronitrobenzene (700-36-7)

Guidance literature:

With dihydrogen peroxide; trifluoroacetic anhydride; In dichloromethane; for 1h; Heating;

Reference yield: 78.0%

5-fluoro-2-nitrobenzoic acid (320-98-9) → 2-bromo-4-fluoronitrobenzene (700-36-7)

Guidance literature:

With copper(l) iodide; oxygen; copper(I) bromide; In dimethyl sulfoxide; at 160 ℃; for 30h; under 760.051 Torr; Schlenk technique; Sealed tube;

DOI:10.1021/acs.joc.5b02873

upstream raw materials:

3-fluorobromobenzene

2-bromo-4-fluoroaniline

4-fluoroaniline

tert.-butylnitrite

Downstream raw materials:

1-(3-bromo-4-nitrophenyl)-4-methylpiperazine

1-(bromo-4-nitrophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine

2-ethyl-4-fluoro-1-nitrobenzene

2-bromo-4-ethoxy-1-nitro-benzene

Refernces

• 1、 -. "Synthetic method of aryl halide taking aryl carboxylic acid as raw material". Paragraph 0079. . Retrieved 2018/01/03.
• 2、 Liu, Jia,Li, Jue,Ren, Jiangmeng,Zeng, Bu-Bing. "Oxidation of aromatic amines into nitroarenes with m-CPBA". . p. 1581 - 1584. Retrieved 2014/03/21.