3-BROMO-2-FLUORONITROBENZENE

Base Information

• Chemical Name: 3-BROMO-2-FLUORONITROBENZENE
• CAS No.: 58534-94-4
• Molecular Formula: C6H3BrFNO2
• Molecular Weight: 219.998
• Hs Code.: 2904909090
• Mol file: 58534-94-4.mol

Synonyms:1-Bromo-2-fluoro-3-nitrobenzene;2-Fluoro-3-bromonitrobenzene;

Chemical Property of 3-BROMO-2-FLUORONITROBENZENE

Chemical Property:

• Vapor Pressure: 0.0214mmHg at 25°C
• Melting Point: 29-31 °C
• Refractive Index: 1.579
• Boiling Point: 259.1 °C at 760 mmHg
• Flash Point: 110.5 °C
• PSA: 45.82000
• Density: 1.808 g/cm³
• LogP: 3.01960
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98% ^*data from raw suppliers

1-Bromo-2-fluoro-3-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-BROMO-2-FLUORONITROBENZENE

There total 5 articles about 3-BROMO-2-FLUORONITROBENZENE 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: 73.0%

1-bromo-2-chloro-3-nitrobenzene (3970-37-4) → 2-fluoro-3-bromonitrobenzene (58534-94-4)

Guidance literature:

With potassium fluoride; cesium fluoride; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2006.07.064

Reference yield: 52.7%

2-bromo-6-nitroaniline (59255-95-7) → 2-fluoro-3-bromonitrobenzene (58534-94-4)

Guidance literature:

2-bromo-6-nitroaniline; With hexafluorophosphoric acid; In ethanol; water; at 0 - 15 ℃; for 2h;

With isopentyl nitrite; In ethanol; water; at 0 - 5 ℃; for 2h;

In 5,5-dimethyl-1,3-cyclohexadiene; at 120 - 130 ℃; for 2h; Reagent/catalyst; Solvent; Temperature;

Reference yield:

2-chloro-3-nitrobezoic acid (3970-35-2) → 2-fluoro-3-bromonitrobenzene (58534-94-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / Br₂; HgO / CCl₄ / light

2: 73 percent / KF; CsF / dimethylformamide

With potassium fluoride; bromine; cesium fluoride; mercury(II) oxide; In tetrachloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2006.07.064

upstream raw materials:

1-bromo-2-chloro-3-nitrobenzene

2-chloro-3-nitrobezoic acid

N-acetyl-2-bromoaniline

2-bromoaniline

Downstream raw materials:

2-(2-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

5-(2-fluoro-3-nitro-phenyl)-pent-4-ynoic acid methyl ester

C₉H₈FNO₃

C₁₀H₁₀FNO₃

Refernces

• 1、 Vara Prasad,Boyer, Frederick E.,Chupak, Lou,Dermyer, Michael,Ding, Qizhu,Gavardinas,Hagen, Susan E.,Huband, Michael D.,Jiao, Wenhua,Kaneko, Takushi,Maiti, Samarendra N.,Melnick, Michael,Romero, Karina,Patterson,Wu, Xiujuan. "Synthesis and structure-activity studies of novel benzocycloheptanone oxazolidinone antibacterial agents". . p. 5392 - 5397. Retrieved 2007/10/03.