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3-Chloro-2-fluorobenzoic acid

CAS Number 161957-55-7

Chemistry Building Blocks, Fluorinated Building Blocks, Monomers


Product Code B2741-10g
Price $94 ex. VAT

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A dihologenated benzoic acid building block

Serving as a precursor for ligands in applications such as liquid crystals, MOFs, APIs and 19F probe


3-Chloro-2-fluorobenzoic acid (CAS number 161957-55-7) is derived from benzoic acid, featuring a fluoride and a chloride at 2- and 3-positions. A fluorine probe molecule is prepared from 3-chloro-2-fluorobenzoic acid and hydroxysuccinimide catalysed by N,N’-dicyclohexyl carbodiimide (DCC). The fluorine probe facilitates the identification and quantification of amino acids in metabolomics study using 19F NMR. The carboxylic acid moiety within 3-chloro-2-fluorobenzoic acid can also coordinate to metal centres, enabling the formation of ligands for metal-organic frameworks.

3-Chloro-2-fluorobenzoic acid is also used as a building block for active pharmaceutical ingredients (APIs), notably as Aurora A inhibitors. 3-Chloro-2-fluorobenzoic acid is attached to the molecular scaffold through peptide coupling chemistry with hexafluorophosphate azabenzotriazole tetramethyl uronium (HATU). The resulting products show half-maximal inhibitory concentration upto 3.5 ± 0.29 nM.

Multiple functional groups

Multiple functional groups

For facile synthesis

Fluorinated building block

Fluorinated benzoic acid building block

For drug discovery, liquid crystals, MOFs and biochemistry research

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High purity 161957-55-7

High purity

>98% High purity

General Information

CAS Number 161957-55-7
Chemical Formula C7H4ClFO2
Full Name 3-Chloro-2-fluorobenzoic acid
Molecular Weight 174.56 g/mol
Synonyms 2-Fluoro-3-Chlorobenzoic acid
Classification / Family Fluorinated building blocks, Benzoic acid building blocks, Liquid crystals, Fluorine probes, MOFs, APIs

Chemical Structure

3-Chloro-2-fluorobenzoic acid chemical structure, CAS 161957-55-7.
3-Chloro-2-fluorobenzoic acid chemical structure, CAS 161957-55-7

Product Details

Purity 98%
Melting Point Tm = 177 °C – 180 °C
Appearance White powder

MSDS Documentation

3-Chloro-2-fluorobenzoic acid3-Chloro-2-fluorobenzoic acid MSDS Sheet

Literature and Reviews

  1. Targeted 19F-tags to detect amino acids in complex mixtures using NMR spectroscopy, K. Montgomery et al., J. Fluor. Chem., 26, 110084(2023); DOI: 10.1016/j.jfluchem.2022.110084.
  2. A Eu(III) metal–organic framework based on anthracenyl and alkynyl conjugation as a fluorescence probe for the selective monitoring of Fe3+ and TNP, Y. Zhao et al., RSC Adv., 12, 26945(2022); DOI: 10.1039/d2ra02892a.
  3. Dielectric and electro-optic properties of cybotactic nematic phase in hydrogen-bonded liquid crystals, T. Missaoui et al., J. Mol. Liq., 304, 112726(2020); DOI: 10.1016/j.molliq.2020.112726.
  4. Search for potent and selective Aurora A inhibitors based on general Ser/Thr kinase pharmacophore model, N. Vasilevich et al., Pharmaceuticals, 9, 19(2016); DOI: 10.3390/ph9020019.

To the best of our knowledge the information provided here is accurate. The values provided are typical at the time of manufacture and may vary over time and from batch to batch. Products may have minor cosmetic differences (e.g. to the branding) compared to the photos on our website. All products are for laboratory and research and development use only.

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