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Description
TCI F0619, CAS 115029-22-6, is 2-Fluoro-3-(trifluoromethyl)benzoic Acid, a benzoic acid bearing a fluorine atom at the ortho position and a trifluoromethyl group at the meta position relative to the carboxyl group. The compound is a fluorinated building block widely used in organic synthesis and medicinal chemistry laboratories. Its carboxylate group serves as the principal point of attachment toward amides, esters, acid chlorides, and a range of heterocycles, while the two fluorination motifs on the ring impart electronic character that other non-fluorinated substituents cannot easily reproduce.
The property that makes this compound valuable is the combined electron-withdrawing strength of the fluorine atom and the trifluoromethyl group. Together they lower the electron density of the aromatic ring and increase the acidity of the carboxyl group compared with ordinary benzoic acid, so activation toward acid derivatives proceeds more readily. The trifluoromethyl group is also recognised for increasing lipophilicity and resistance to oxidative metabolism, two characteristics highly sought after in the design of drug candidates and agricultural active ingredients. The ortho placement of the fluorine adds a modest degree of steric hindrance around the carboxyl group, which chemists can exploit to influence the selectivity and conformation of the products formed.
In Indonesian laboratories, this building block is typically used in university research groups, pharmaceutical research and development units, and contract synthesis laboratories working on fluorinated intermediates. It is most often handled at small to moderate scale on the bench, where a single pack supports several rounds of coupling, amidation, or esterification trials. Researchers working on analogue series value having a defined, well-characterised fluorinated starting material available locally, since it shortens the time between designing a target molecule and preparing it.
Laboratory Applications
- Amide bond formation: the activated carboxyl group couples efficiently with primary and secondary amines, giving fluorinated benzamide scaffolds that appear frequently in medicinal chemistry analogue programmes.
- Ester synthesis: the increased acidity of the carboxyl group facilitates esterification and transesterification routes, providing protected intermediates or prodrug-type structures for later stages of a synthetic sequence.
- Acid chloride preparation: conversion to the corresponding acyl chloride proceeds readily because of the electron-poor ring, opening access to a broad family of downstream acyl derivatives.
- Heterocycle construction: the benzoic acid core serves as a precursor toward oxadiazoles, benzoxazoles, and related ring systems where a fluorinated aryl substituent is required by design.
- Structure-activity relationship studies: incorporating both fluorine and trifluoromethyl groups lets researchers probe how lipophilicity and metabolic stability change across a series of closely related candidate molecules.
Specifications
- Brand: TCI (Tokyo Chemical Industry)
- CAS number: 115029-22-6
- Chemical name: 2-Fluoro-3-(trifluoromethyl)benzoic Acid
- Category: Chemistry > Building Blocks > Fluorinated Building Blocks
- Pack sizes: available in standard TCI research-scale packs; please confirm the size required when ordering
- Storage: keep in the original tightly closed container, in a cool, dry and well-ventilated place
Handling and Storage
Store the material in its original tightly closed container in a cool, dry, well-ventilated area away from direct sunlight, moisture, and incompatible substances such as strong bases and strong oxidising agents. Amber glass or the supplier's original packaging is suitable; transfer only with clean, dry spatulas to avoid contaminating the bulk. Handle inside a fume hood and wear safety glasses, gloves, and a laboratory coat, since fluorinated benzoic acids can irritate the skin, eyes, and respiratory tract. Reseal the container promptly after each use, label any subdivided portions clearly, and consult the manufacturer's safety data sheet before first use and before disposal of residues.
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