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2-Fluoro-4-(trifluoromethyl)benzoic acid

CAS Number 115029-24-8

Chemistry Building Blocks, Fluorinated Building Blocks, Monomers


Product Code B2831-5g
Price $125 ex. VAT

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A polyfluorinated benzoic acid building block

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


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

Multiple functional groups

For facile synthesis

Fluorinated building block

Fluorinated benzoic acid building block

for drug discovery, medicinal chemistry and biochemistry research

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High purity 115029-24-8

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

2-Fluoro-4-(trifluoromethyl)benzoic acid chemical structure, CAS 115029-24-8.
2-Fluoro-4-(trifluoromethyl)benzoic acid chemical structure, CAS 115029-24-8

Product Details

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

MSDS Documentation

2-Fluoro-4-(trifluoromethyl)benzoic acid2-Fluoro-4-(trifluoromethyl)benzoic acid MSDS Sheet

Literature and Reviews

  1. 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.
  2. 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.
  3. 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.
  4. 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.

To the best of our knowledge the information provided here is accurate. The values provided are typical at the time of manufacture and may vary over time and from batch to batch. Products may have minor cosmetic differences (e.g. to the branding) compared to the photos on our website. All products are for laboratory and research and development use only.

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