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Description
TCI C2117 3-Chloro-2-fluorobenzoic Acid is a doubly halogenated benzoic acid classified as a fluorinated building block — a fluorine-bearing starting material designed specifically for constructing fluorinated target molecules. In the laboratory, this compound is used when researchers need to place a fluorine atom at a defined position on an aromatic ring without running a direct fluorination reaction, which generally demands hazardous reagents and specialized equipment. By starting from a material that already carries fluorine, the synthetic route becomes safer, shorter, and far easier to control in terms of selectivity.
The principal appeal of this compound lies in the arrangement of three functional groups that sit close together and influence one another. The fluorine atom adjacent to the carboxylate withdraws electrons strongly, which increases acidity while simultaneously activating that position toward nucleophilic aromatic substitution under the right conditions. The chlorine atom next to it provides a working handle for palladium-catalyzed cross-coupling. In medicinal chemistry, the presence of fluorine is frequently exploited to improve metabolic stability, tune acidity, and modulate membrane permeability.
In Indonesian laboratories, this building block is typically used in university and institutional research groups working on organic synthesis, medicinal chemistry, and materials development, as well as in industrial R&D units preparing intermediates on a small scale. It is normally ordered as a research-grade reagent for route scouting and method development, where a well-defined halogenated starting material saves considerable time compared with attempting to install fluorine in-house.
Laboratory Applications
- Fluorinated intermediate synthesis — the pre-installed fluorine atom removes the need for direct fluorination, shortening the route and avoiding the hazardous reagents and specialized handling that such reactions normally require.
- Palladium-catalyzed cross-coupling — the chlorine atom on the aromatic ring serves as a defined reactive handle for building carbon–carbon and carbon–heteroatom bonds onto the benzoic acid scaffold.
- Nucleophilic aromatic substitution studies — the strongly electron-withdrawing fluorine adjacent to the carboxylate activates that ring position, making the compound useful for controlled substitution chemistry under suitable conditions.
- Medicinal chemistry scaffold preparation — fluorine substitution is widely used to improve metabolic stability, adjust acidity, and modulate membrane permeability in candidate molecules under development.
- Amide and ester derivatization — the carboxylic acid group offers a straightforward point for coupling reactions, allowing researchers to elaborate the halogenated core into larger target structures.
Specifications
- Brand: TCI
- CAS number: 161957-55-7
- Category: Chemistry > Building Blocks > Fluorinated Building Blocks
- Product code: C2117
- Pack sizes: available in standard research laboratory pack sizes as supplied by the manufacturer
- Storage: store in a cool, dry place in a tightly closed container, protected from moisture
Handling and Storage
Store the material in a cool, dry area inside its original tightly closed container, kept away from moisture, direct sunlight, and sources of heat or ignition. Glass bottles with chemically resistant closures are suitable, and containers should be resealed promptly after each use to limit exposure to atmospheric humidity. As with any halogenated carboxylic acid, handle the solid in a fume hood and wear safety goggles, nitrile gloves, and a laboratory coat, since the compound is acidic and may irritate skin, eyes, and the respiratory tract. Avoid generating dust during weighing, keep the material separated from strong bases and strong oxidizing agents, and always consult the manufacturer's safety data sheet before use. Dispose of residues and contaminated materials through the laboratory's designated chemical waste stream.
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