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3-Fluoro-4-(trifluoromethyl)benzoic acid

CAS Number 115754-21-7

Fluorinated Building Blocks, Materials, Monomers

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Product Code B2791-10g
Price £90 ex. VAT

A fluorinated benzoic acid building block

Used as a synthesis intermediate for organometallic complexes and APIs

Specifications | MSDS | Literature and Reviews

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.
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