115029-24-8

Basic information

• Product Name: 2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID
• Synonyms: 2-fluoro-4-(rifluoromethyl)benzoic acid;2-Fluoro-4-(trifluoromethyl)benzoic acid,99%;α,α,α,2-Tetrafluoro-p-toluic acid;4-Carboxy-3-fluorobenzotrifluoride, 4-Carboxy-alpha,alpha,alpha,3-tetrafluorotoluene;4-Carboxy-3-fluorobenzotrifluoride, alpha,alpha,alpha,2-Tetrafluoro-p-toluic acid;2-Fluoro-4-(trifluoroMethyl)benzoic acid;RARECHEM AL BO 0632;2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID
• CAS NO: 115029-24-8
• Molecular Formula: C₈H₄F₄O₂
• Molecular Weight: 208.11
• Product Categories: Carboxylic Acids;Phenyls & Phenyl-Het;Miscellaneous;Carboxylic Acids;Phenyls & Phenyl-Het;C8;Carbonyl Compounds;Fluorine series;Fluorobenzene;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
• Mol File: 115029-24-8.mol
• Article Data: 1

Chemical Properties

• Melting Point: 168-170 °C(lit.)
• Boiling Point: 231.4 °C at 760 mmHg
• Flash Point: 93.7 °C
• Appearance: white crystals
• Density: 1.4412 (estimate)
• Vapor Pressure: 0.0349mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 2.76±0.10(Predicted)
• BRN: 8409774
• CAS DataBase Reference: 2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID(115029-24-8)
• EPA Substance Registry System: 2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID(115029-24-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-37/38-36
• Safety Statements: 26-37/39-36/37/39-27
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 115029-24-8(Hazardous Substances Data)

Usage

Chemical Properties

white crystals

General Description

The molecular properties (both steric as well as electronic) of 2-fluoro-4-(trifluoromethyl)benzoic acid has been studied using molecular orbital and empirical methods.

InChI:InChI=1/C8H4F4O2/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H,13,14)/p-1

Upstream product

• 23228-45-7 2-chloro-4-(trifluoromethyl)benzoic acid 

Downstream Products

• 478372-76-8 2-[3-(5-[(2-Fluoro-4-trifluoromethylbenzoyl)-amino]methyl-6-ethoxy-pyridin-3-yl)phenyl]acetic acid 
• 69409-98-9 2-fluoro-4-(trifluoromethyl)aniline 
• 1000815-86-0 5-amino-1-(2-chloro-6-fluoro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile 
• 1472654-48-0 5-amino-1-(2-chloro-6-fluoro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylsulfinyl)-1H-pyrazole-3-carbonitrile 
• 1472654-49-1 5-bromo-1-(2-chloro-6-fluoro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylsulfinyl)-1H-pyrazole-3-carbonitrile 
• 545393-90-6 (2E)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-indol-5-ylprop-2-enamide 
• 197239-49-9 2-fluoro-4-(trifluoromethyl)benzyl alcohol 
• 478371-65-2 3-(3-{[(4-Trifluoromethyl-2-fluorobenzoyl)amino]methyl}-4-propoxyphenyl)benzoic acid 
• 478371-49-2 3-(3-{[(4-yrifluoromethyl-2-fluorobenzoyl)amino]methyl}-4-ethoxyphenyl)benzoic acid 
• 478370-58-0 3-(3-{[(4-Trifluoromethyl-2-fluorobenzoyl)amino]methyl}-4-methoxyphenyl)benzoic acid 
• 202822-74-0 3-[(5-chloro-2-methoxyphenyl)methyl]-5-[2-(1H-imidazol-1-yl)-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-(3H)-one 
• 202822-72-8 3-[(5-chloro-2-methoxy-phenyl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-(3H)-one 
• 220381-28-2 5-(2-fluoro-4-trifluoromethyl-phenyl)-3H-[1,3,4]oxadiazol-2-one 

Relevant articles and documents

Method for synthesizing 2-fluoro-4-trifluoromethylbenzoic acid

The invention discloses a method for synthesizing 2-fluoro-4-trifluoromethylbenzoic acid. After chlorobenzotrifluoride serves as a raw material and undergoes selective proton abstraction together with 2,2,6,6-tetramethyl piperidine magnesium chloride or 2