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

Description

4-Bromo-3-nitrobenzotrifluoride is an organic building block characterized as a clear yellow liquid. It is a compound with a unique structure that holds potential in various applications due to its chemical properties.

Uses

Used in Pharmaceutical Industry:
4-Bromo-3-nitrobenzotrifluoride is used as a chemical intermediate for the synthesis of polysubstituted bisheterocycles. These bisheterocycles possess potential chemotherapeutic properties, making them valuable in the development of new drugs for the treatment of various cancers.
As an organic building block, 4-Bromo-3-nitrobenzotrifluoride plays a crucial role in the creation of complex molecular structures that can be tailored for specific therapeutic applications. Its versatility in chemical reactions allows for the exploration of novel drug candidates with improved efficacy and reduced side effects.

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

Upstream product

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

Downstream Products

• 10442-83-8 2-((2-nitro-4-(trifluoromethyl)phenyl)amino)ethanol 
• 389084-12-2 2-nitro-4-trifluoromethylphenyl 2-pyridinyl sulfide 
• 346-44-1 (2-nitro-4-(trifluoromethyl)phenyl)phenylthioether 
• 228418-45-9 methyl 2-nitro-4-trifluoromethylbenzoate 
• 778-94-9 2-nitro-4-trifluoromethyl-benzonitrile 
• 63364-80-7 Ethyl 2-[4-(2-nitro-4-trifluoromethylphenylthio) phenoxy] propionate 
• 171103-23-4 methyl 2-(2-nitro-4-(trifluoromethyl)phenoxy)benzoate 
• 1335114-89-0 C₁₆H₁₉F₃N₂O₆ 
• 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 
• 454-79-5 2-Bromo-5-trifluoromethylaniline 
• 3182-12-5 2,2'-dinitro-4,4'-di(trifluoromethyl)diphenyl diselenide 

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.