3-Chloro-2-fluorobenzoic acid (CAS 161957-55-7) is a dihalogenated benzoic acid carrying a fluorine atom at the 2-position and a chlorine atom at the 3-position. Supplied as a white powder with >98% purity, it serves as a versatile building block for drug discovery, materials chemistry and biochemical research.
Its carboxylic acid group can bind to metal centres, making it useful for preparing ligands for metal-organic frameworks (MOFs) and for liquid crystal research. Reacting it with hydroxysuccinimide in the presence of N,N'-dicyclohexyl carbodiimide (DCC) gives a fluorine probe that helps identify and quantify amino acids in metabolomics work by 19F NMR.
In medicinal chemistry, the compound has been coupled onto molecular scaffolds via HATU-mediated peptide coupling to build Aurora A inhibitors, with the resulting compounds reaching half-maximal inhibitory concentrations up to 3.5 ± 0.29 nM.
- Building block for active pharmaceutical ingredients such as Aurora A inhibitors.
- Precursor for ligands used in metal-organic frameworks.
- Preparation of fluorine probes for amino acid detection by 19F NMR in metabolomics.
- Synthesis of materials for liquid crystal research.
| Brand | Ossila |
|---|---|
| CAS number | 161957-55-7 |
| Molecular formula | C7H4ClFO2 |
| Purity | >98% |
| Category | — |
| Pack sizes | 10 g, 25 g, 50 g |
| Physical form | White powder |
| Storage | — |
- Product code: B2741
- Molecular Weight: 174.56 g/mol
- Synonyms: 2-Fluoro-3-Chlorobenzoic acid
- Melting Point: 177 °C – 180 °C
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