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3-Fluoro-4-(trifluoromethyl)benzoic acid

CAS Number 115754-21-7

Fluorinated Building Blocks, Monomers


Product Code B2791-10g
Price $113 ex. VAT

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A fluorinated benzoic acid building block

Used as a synthesis intermediate for organometallic complexes and APIs


3-Fluoro-4-(trifluoromethyl)benzoic acid (CAS number 115754-21-7) is a benzoic acid derivative bearing a trifluoromethyl and a fluoride at 3- and 4-positions. The carboxylic acid group in 3-fluoro-4-(trifluoromethyl)benzoic acid can chelate with metal centres such as dysprosium, leading to pH tuneable magnetic organometallic clusters with slow magnetic relaxation.

3-Fluoro-4-(trifluoromethyl)benzoic acid has been extensively studied for active pharmaceutical ingredients (APIs). 3-Fluoro-4-(trifluoromethyl)benzoic acid serves as a crucial building block in the synthesis of potassium channel openers used for the treatment of epilepsy. The potassium channel openers are synthesised by condensation reactions involving 3-fluoro-4-(trifluoromethyl)benzoic acid and aminopyridine.

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 115754-21-7

High purity

>98% High purity

General Information

CAS Number 115754-21-7
Chemical Formula C8H4F4O2
Full Name 3-Fluoro-4-(trifluoromethyl)benzoic acid
Molecular Weight 208.11 g/mol
Synonyms α,α,α,3-Tetrafluoro-p-toluic acid
Classification / Family Fluorinated building blocks, Benzoic acid building blocks, APIs, Organometallic complexes

Chemical Structure

3-Fluoro-4-(trifluoromethyl)benzoic acid chemical structure, CAS 115754-21-7.
3-Fluoro-4-(trifluoromethyl)benzoic acid chemical structure, CAS 115754-21-7

Product Details

Purity 98%
Melting Point Tm = 174 °C – 179 °C
Appearance Off-white powder

MSDS Documentation

3-Fluoro-4-(trifluoromethyl)benzoic acid3-Fluoro-4-(trifluoromethyl)benzoic acid MSDS Sheet

Literature and Reviews

  1. pH-Induced Dy4 and Dy10 cluster-based 1D chains with different magnetic relaxation features, Z.-L. Wu et al., Dalton Trans., 43, 16838–16845(2014); DOI: 10.1039/C4DT02427C.
  2. N-Pyridyl and pyrimidine benzamides as KCNQ2/Q3 potassium channel openers for the treatment of epilepsy, G. Amato et al., ACS Med. Chem. Lett., 2, 481–484(2011); DOI: 10.1021/ml200053x.
  3. A novel pan-negative-gating modulator of KCa2/3 channels, fluoro-dibenzoate, RA-2, inhibits endothelium-derived hyperpolarization-type relaxation in coronary artery and produces bradycardia in vivo, Mol. Pharmacol. 87, 338–348(2015); DOI: 10.1124/mol.114.095745.
  4. Synthesis and biological evaluation of 2-(3-fluoro-4-nitro phenoxy)-N-phenylacetamide derivatives as novel potential affordable antitubercular agents, Molecules, 17, 2248–2258(2012); DOI: 10.3390/molecules17022248.

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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