320-31-0

Basic information

• Product Name: 4-Bromo-2-(Trifluoromethyl) Benzoic Acid
• Synonyms: 2-Trifluoromethyl-4-bromobenzoic acid;4-Bromo-2-(Trifluoromethyl) Benzoic Acid 2-(Trifluoromethyl)-4-Bromo Benzoic Acid;2-Bromo-2-trifluoromethyl benzoic acid;5-Bromo-2-carboxybenzotrifluoride;2-TRIFLUOROMETHYL-4-BROMOBENZOIC ACID(RS20008676);4-Bromo-2-(trifluoromethyl)\nbenzoic acid
• CAS NO: 320-31-0
• Molecular Formula: C₈H₄BrF₃O₂
• Molecular Weight: 269.0153696
• EINECS: 1592732-453-0
• Product Categories: Benzene derivatives
• Mol File: 320-31-0.mol
• Article Data: 6

Chemical Properties

• Melting Point: 121.0 to 125.0 °C
• Boiling Point: 275.2°Cat760mmHg
• Flash Point: 120.2°C
• Appearance: /
• Density: 1.773g/cm³
• Vapor Pressure: 0.00251mmHg at 25°C
• Refractive Index: 1.516
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 3.00±0.36(Predicted)
• CAS DataBase Reference: 4-Bromo-2-(Trifluoromethyl) Benzoic Acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Bromo-2-(Trifluoromethyl) Benzoic Acid(320-31-0)
• EPA Substance Registry System: 4-Bromo-2-(Trifluoromethyl) Benzoic Acid(320-31-0)

Safety Data

• Hazardous Substances Data: 320-31-0(Hazardous Substances Data)

Usage

Chemical Properties

Off-white powder

InChI:InChI=1/C8H4BrF3O2/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H,13,14)

Upstream product

• 433-97-6 2-trifluoromethylbenzoic acid 
• 86845-27-4 4-bromo-1-methyl-2-(trifluoromethyl) benzene 
• 623-00-7 4-bromobenzenecarbonitrile 
• 191165-13-6 4-bromo-2-(trifluoromethyl)benzonitrile 
• 88-17-5 2-(trifluoromethyl)benzenamine 
• 445-02-3 4-bromo-2-trifluoromethyl-aniline 
• 124-38-9 carbon dioxide 
• 364-12-5 4-bromo-1-iodo-2-(trifluoromethyl)benzene 

Downstream Products

• 123524-61-8 4-bromo-2-(trifluoromethyl)benzamide 
• 1350426-21-9 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide 
• 1459732-54-7 4-(3-quinolin-6-ylmethyl-3H-imidazo[4,5-b]pyridin-5-yl)-2-trifluoromethyl-benzamide 
• 957207-58-8 methyl 4-bromo-2-(trifluoromethyl) benzoate 
• 877131-92-5 2-(4-bromo-2-(trifluoromethyl)phenyl)acetonitrile 
• 335013-18-8 4-bromo-1-(bromomethyl)-2-(trifluoromethyl)benzene 

Relevant articles and documents

Photo-induced deep aerobic oxidation of alkyl aromatics

Oxidation is a major chemical process to produce oxygenated chemicals in both nature and the chemical industry. Presently, the industrial manufacture of benzoic acids and benzene polycarboxylic acids (BPCAs) is mainly based on the deep oxidation of polyalkyl benzene, which is somewhat suffering from environmental and economical disadvantage due to the formation of ozone-depleting MeBr and corrosion hazards of production equipment. In this report, photo-induced deep aerobic oxidation of (poly)alkyl benzene to benzene (poly)carboxylic acids was developed. CeCl3 was proved to be an efficient HAT (hydrogen atom transfer) catalyst in the presence of alcohol as both hydrogen and electron shuttle. Dioxygen (O2) was found as a sole terminal oxidant. In most cases, pure products were easily isolated by simple filtration, implying large-scale implementation advantages. The reaction provides an ideal protocol to produce valuable fine chemicals from naturally abundant petroleum feedstocks. [Figure not available: see fulltext.].

Silver-Catalyzed C-H Trifluoromethylation of Arenes Using Trifluoroacetic Acid as the Trifluoromethylating Reagent

Direct trifluoromethylation of arenes using TFA as the trifluoromethylating reagent was achieved with Ag as the catalyst. This reaction not only provides a new protocol for aryl C-H trifluoromethylation, but the generation of CF3· from TFA may prove useful in other contexts and could potentially be extended to other trifluoromethylation reactions. (Chemical Equation Presented).

BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE

The invention relates to substituted phenoxyacetic acids of formula (I), where the variables are as defined in claim 1, as useful pharmaceutical compounds for treating respiratory disorders, pharmaceutical compositions containing them, and processes for their preparation.