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Product Code B3351-2g
Price £30 ex. VAT

A fluorinated benzoic acid building block

As a synthesis intermediate for APIs

Specifications | MSDS | Literature and Reviews

3-Fluoro-5-(trifluoromethyl)benzoic acid (CAS number 161622-05-5) is a benzoic acid derivative featuring a fluoride and a trifluoromethyl at the 3- and 5-positions, respectively. 3-Fluoro-5-(trifluoromethyl)benzoic acid is employed in the synthesis of active pharmaceutical ingredient (APIs) due to the excellent lipophilicity and binding affinity provided by the fluorinated substituents. As a benzoic acid building block, 3-fluoro-5-(trifluoromethyl)benzoic acid can be easily attached to molecule scaffolds through amination reactions. The carboxylic acid group can be converted to an acyl chloride for nucleophilic substitution and Friedel-Craft acylation.

A fusion inhibitor of influenza A virus, based on oligothiophene, is capped by 3-fluoro-5-(trifluoromethyl)benzoic acid. The product exhibits an inhibition of 0.22 µM on the membrane fusion between the virus and the endosome of the host cells.

Multiple functional groups

Multiple functional groups

For facile synthesis

Fluorinated benzoic acid building block

Fluorinated benzoic acid building block

For drug discovery, medicinal chemistry, and biochemistry

competitively priced 161622-05-5

Low Cost

Competitively priced, high quality product

High purity 161622-05-5

High purity

>98% High purity

General Information

CAS Number 161622-05-5
Chemical Formula C8H4F4O2
Full Name 3-Fluoro-5-(trifluoromethyl)benzoic acid
Molecular Weight 208.11 g/mol
Synonyms α,α,α,5-Tetrafluoro-m-toluic acid
Classification / Family Fluorinated building blocks, Benzoic acid building blocks, APIs

Chemical Structure

3-Fluoro-5-(trifluoromethyl)benzoic acid chemical structure, CAS 161622-05-5
3-Fluoro-5-(trifluoromethyl)benzoic acid chemical structure, CAS 161622-05-5

Product Details

Purity 98%
Melting Point Tm = 104 °C – 108 °C
Appearance White Powder

MSDS Documentation

3-Fluoro-5-(trifluoromethyl)benzoic acid3-Fluoro-5-(trifluoromethyl)benzoic acid MSDS Sheet

Literature and Reviews

  1. Antibacterial activity of new dibenzoxepinone oximes with fluorine and trifluoromethyl group substituents, C. Limban et al., Int. J. Mol. Sci., 12, 6432–6444 (2021); DOI: 10.3390/ijms12106432.
  2. Sterol 14α−Demethylase Structure-Based Design of VNI ((R)-N−(l-(2,4-Dichlorophenyl)-2-(1H−imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4- oxadiazol-2-yl)benzamide) derivatives to target fungal infections: synthesis, biological evaluation, and crystallographic analysis, L. Friggeri et al., J. Med. Chem., 61 (13), 5679–5691 (2018); DOI: 10.1021/acs.jmedchem.8b00641.
  3. 4-4-(Anilinomethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-1-ylbenzoic acid derivatives as potent anti-gram-positive bacterial agents, R. Hansa et al., Eur. J. Med. Chem., 219, 113402 (2021); DOI: 10.1016/j.ejmech.2021.113402.
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