2-Fluoro-4-(trifluoromethyl)benzoic acid

CAS Number 115029-24-8

Chemistry Building Blocks, Fluorinated Building Blocks, Monomers

2-Fluoro-4-(trifluoromethyl)benzoic acid MSDS

2-Fluoro-4-(trifluoromethyl)benzoic acid CAS 115029-24-8

A polyfluorinated benzoic acid building block

Used as a precursor for the synthesis of APIs with improved agonistic receptors activity.

Overview
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2-Fluoro-4-(trifluoromethyl)benzoic acid (CAS number 115029-24-8) is a benzoic acid derivative featuring a fluoride and a trifluoromethyl substituents at 2- and 4-positions. As a synthetic building block, 2-fluoro-4-(trifluoromethyl)benzoic acid can be easily attached to molecular scaffolds through condensation reactions. A structure-activity relationship study has indicated that the trifluoromethyl and fluoride group introduced by 2-fluoro-4-(trifluoromethyl)benzoic acid improve the agonistic activity of G protein-coupled receptors. The increased potency results from the halogen bonding interaction of the fluorinated groups and proteins.

2-Fluoro-4-(trifluoromethyl)benzoic acid can also undergo functional group exchanges to afford acyl chlorides, aldehydes and anhydrides.

Multiple functional groups

For facile synthesis

Fluorinated benzoic acid building block

for drug discovery, medicinal chemistry and biochemistry research

Worldwide shipping

Quick and reliable shipping

High purity

>98% High purity

General Information

CAS Number	115029-24-8
Chemical Formula	C₈H₄F₄O₂
Full Name	2-Fluoro-4-(trifluoromethyl)benzoic acid
Molecular Weight	208.11 g/mol
Synonyms	α,α,α,2-Tetrafluoro-p-toluic acid
Classification / Family	Fluorinated building blocks, Benzoic acid building blocks, APIs

Chemical Structure

Product Details

Purity	98%
Melting Point	T_m = 168 °C – 170 °C
Appearance	White powder

MSDS Documentation

2-Fluoro-4-(trifluoromethyl)benzoic acid MSDS Sheet

Literature and Reviews

Discovery of novel cccDNA reducers toward the cure of hepatitis B virus infection, D. Chen et al., J. Med. Chem., 65(16), 10938–10955(2022); DOI: 10.1021/acs.jmedchem.1c02215.
Hydrazones as a privileged structural linker in antitubercular agents: a review, B. Mathew et al., Infect. Disord. Drug Targets, 15, 76–88(2015); DOI: 10.2174/1871526515666150724104411.
Principles and applications of halogen bonding in medicinal chemistry and chemical biology, R. Wilcken et al., J. Med. Chem., 56, 1363–1388(2013); DOI: 10.1021/jm3012068.
SAR studies of N‑[2-(1H‑tetrazol-5-yl)phenyl]benzamide derivatives as potent G protein-coupled receptor-35 agonists, L. Wei et al., ACS Med. Chem. Lett., 9, 422–427(2018); DOI: 10.1021/acsmedchemlett.7b00510.

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