4-Bromo-3-nitrobenzotrifluoride

Base Information

• Chemical Name: 4-Bromo-3-nitrobenzotrifluoride
• CAS No.: 349-03-1
• Molecular Formula: C7H3BrF3NO2
• Molecular Weight: 270.006
• Hs Code.: 29049090
• Mol file: 349-03-1.mol

Synonyms:Toluene,4-bromo-a,a,a-trifluoro-3-nitro-(8CI);1-Bromo-2-nitro-4-(trifluoromethyl)benzene;2-Bromo-1-nitro-5-(trifluoromethyl)benzene;2-Bromo-5-(trifluoromethyl)nitrobenzene;

Chemical Property of 4-Bromo-3-nitrobenzotrifluoride

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.126mmHg at 25°C
• Refractive Index: n20/D 1.511(lit.)
• Boiling Point: 225.9 °C at 760 mmHg
• Flash Point: 90.4 °C
• PSA: 45.82000
• Density: 1.788 g/cm³
• LogP: 3.89930
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-3-nitrobenzotrifluoride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Uses: 4-Bromo-3-nitrobenzotrifluoride may be used to prepare polysubstituted bisheterocycles with potential chemotherapeutic properties.

Technology Process of 4-Bromo-3-nitrobenzotrifluoride

There total 4 articles about 4-Bromo-3-nitrobenzotrifluoride 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: 42.0%

2-nitro-4-trifluoromethylbenzoic acid (320-94-5) → 1-bromo-4-trifluoromethyl-2-nitrobenzene (349-03-1)

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

Reference yield: 38.0%

2-chloro-3-nitro-5-trifluoromethylbenzene (121-17-5) → 1-bromo-4-trifluoromethyl-2-nitrobenzene (349-03-1)

Guidance literature:

With copper(I) bromide; lithium bromide; In tetrahydrofuran; at 160 ℃; for 6h; Product distribution / selectivity;

Reference yield:

p-trifluoromethylphenyl bromide (402-43-7) → 1-bromo-4-trifluoromethyl-2-nitrobenzene (349-03-1)

Guidance literature:

With sulfuric acid; nitric acid; at 68 ℃; for 4h; Temperature;

upstream raw materials:

2-chloro-3-nitro-5-trifluoromethylbenzene

2-nitro-4-trifluoromethylbenzoic acid

p-trifluoromethylphenyl bromide

Downstream raw materials:

trimethyl((2-nitro-4-(trifluoromethyl)phenyl)ethynyl)silane

2-((2-nitro-4-(trifluoromethyl)phenyl)amino)ethanol

(S)-N-[2-nitro-4-trifluoromethylphenyl]-S-methyl-S-phenylsulfoximine

2-(p-(trifluoromethyl)-o-nitrophenyl)benzo[b]thiophene