349-03-1

Basic information

• Product Name: 4-Bromo-3-nitrobenzotrifluoride
• Synonyms: TIMTEC-BB SBB009903;3-NITRO-4-BROMOTRIFLUOROMETHYLBENZENE;3-NITRO-4-BROMOBENZOTRIFLUORIDE;4-BROMO-3-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE;4-BROMO-3-NITROBENZOTRIFLUORIDE;1-BOMO-4-(TRIFLUOROMETHYL)-2-NITROBENZENE;4-Bromo-3-Nitrobenzotrifluoride 3-Nitro-4-Bromobenzotrifluoride;1-bromo-2-nitro-4-(trifluoromethyl)benzene
• CAS NO: 349-03-1
• Molecular Formula: C₇H₃BrF₃NO₂
• Molecular Weight: 270
• EINECS: -0
• Product Categories: Trifluoromethylbenzene serise;Aromatic Halides (substituted);API intermediates;Miscellaneous;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks;Trifluoromethyl-benzene series
• Mol File: 349-03-1.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 90 °C (3 mmHg)
• Flash Point: >230 °F
• Appearance: clear yellow liquid
• Density: 1.763 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.126mmHg at 25°C
• Refractive Index: n20/D 1.511(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 2417762
• CAS DataBase Reference: 4-Bromo-3-nitrobenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Bromo-3-nitrobenzotrifluoride(349-03-1)
• EPA Substance Registry System: 4-Bromo-3-nitrobenzotrifluoride(349-03-1)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/21/22-36/38
• Safety Statements: 36/37/39-26-37/39-36/37
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 349-03-1(Hazardous Substances Data)

Usage

Chemical Properties

clear yellow liquid

Uses

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

General Description

4-Bromo-3-nitrobenzotrifluoride is an organic building block.

InChI:InChI=1/C7H3BrF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H

Upstream product

• 402-43-7 p-trifluoromethylphenyl bromide 
• 320-94-5 2-nitro-4-trifluoromethylbenzoic acid 
• 121-17-5 2-chloro-3-nitro-5-trifluoromethylbenzene 

Downstream Products

• 454-79-5 2-Bromo-5-trifluoromethylaniline 
• 106851-20-1 trimethyl((2-nitro-4-(trifluoromethyl)phenyl)ethynyl)silane 
• 228418-45-9 methyl 2-nitro-4-trifluoromethylbenzoate 
• 63364-80-7 Ethyl 2-[4-(2-nitro-4-trifluoromethylphenylthio) phenoxy] propionate 
• 1335114-89-0 C₁₆H₁₉F₃N₂O₆ 
• 1447840-15-4 C₂₁H₁₅F₃N₂ 
• 1447840-10-9 C₂₀H₁₃F₃N₂ 
• 57330-58-2 1-(2-nitro-4-trifluoromethylphenyl)propan-2-one 
• 161462-35-7 1-Cyclopropyl-3-(2-methylsulphenyl-4-trifluoromethyl-phenyl)propane-1,3-dione 
• 128403-22-5 2-nitro-4-trifluoromethyl-acetophenone 
• 10442-83-8 2-((2-nitro-4-(trifluoromethyl)phenyl)amino)ethanol 

Relevant articles and documents

Production method of isoxaflutole

The invention provides a production method of isoxaflutole. The production method comprises the following steps: S1, generating an intermediate I from p-bromobenzotrifluoride under the action of a mixed acid of concentrated sulfuric acid and concentrated

Synthetic method of aryl halide taking aryl carboxylic acid as raw material

A synthetic method of an aryl halide taking aryl carboxylic acid as a raw material is characterized in that a corresponding aryl halide is formed by carrying out substitution reaction on an aryl carboxylic acid compound and haloid salt MX in an organic solvent under the condition that oxygen, a silver catalyst, a copper additive and a bidentate nitrogen ligand exist, wherein M in MX represents alkali metal or alkaline earth metal, and X represents F, Cl, Br or I. Compared with a conventional aryl halide synthetic method, the synthetic method disclosed by the invention has the obvious advantages that reaction raw materials (comprising aryl carboxylic acid and MX) are cheap and easy to obtain, the using amount of a metal catalyst is small, pollution to the environment when the oxygen is used as an oxidant is the smallest, good tolerance to various functional groups on an aromatic ring is obtained, the yield is high, and the like. The synthetic method disclosed by the invention can be widely applied to synthesis in the fields of medicine, materials, natural products and the like in industry and academia.

Chemical processes

The invention relates to a process for the preparation of a compound of formula (I) wherein: R1represents C1-4haloalkyl, fluorine, chlorine or bromine; and R2represents hydrogen or C1-4alkoxy; which process comprises the reaction of the corresponding ortho-nitrohalobenzene of formula (II): wherein R1and R2are as hereinbefore defined and X represents a fluorine or bromine atom, with, when X represents a fluorine atom: (a) an alkali metal cyanide, in a non aqueous solvent, optionally in the presence of a catalyst; or when X represents a bromine atom: (b) cuprous cyanide, in a non aqueous solvent, optionally in the presence of a catalyst selected from an alkali metal bromide or an alkaline earth metal bromide; or (c) an alkali metal cyanide, in a non aqueous solvent, in the presence of a catalytic amount of cuprous cyanide and a phase transfer catalyst.