3-Fluoro-4-(trifluoromethyl)benzoic acid

CAS Number 115754-21-7

3-Fluoro-4-(trifluoromethyl)benzoic acid CAS 115754-21-7

A fluorinated benzoic acid building block

Used as a synthesis intermediate for organometallic complexes and APIs

Overview
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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

For facile synthesis

Fluorinated benzoic acid building block

For drug discovery, medicinal chemistry and biochemistry research

Worldwide shipping

Quick and reliable shipping

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

Product Details

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

MSDS Documentation

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

Literature and Reviews

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.
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.
A novel pan-negative-gating modulator of K_Ca2/3 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.
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.

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