3-Fluoro-5-(trifluoromethyl)benzoic acid

CAS Number 161622-05-5

Chemistry Building Blocks, Fluorinated Building Blocks, Materials, Monomers, Non-Heterocyclic Building Blocks

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

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

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

For facile synthesis

Fluorinated benzoic acid building block

For drug discovery, medicinal chemistry, and biochemistry

Low Cost

Competitively priced, high quality product

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

Product Details

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

MSDS Documentation

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

Literature and Reviews

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.
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.
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.

Oligothiophene compounds inhibit the membrane fusion between H5N1 avian influenza virus and the endosome of host cell, Z. Zhu et al., Eur. J. Med. Chem., 130, 185–194 (2017); DOI: 10.1016/j.ejmech.2017.02.040.
Selective GlyT1 inhibitors: discovery of [4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl][5-methanesulfonyl-2-((S)-2,2,2-trifluoro-1-methylethoxy)phenyl]methanone (RG1678), a promising novel medicine to treat schizophrenia, E. Pinard et al., J. Med. Chem., 53 (12), 4603–4614 (2010); DOI: 10.1021/jm100210p.