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5-Chloro-2-fluorobenzonitrile CAS 57381-34-7
Product Code B3341-2g
Price £40 ex. VAT
£ GBP

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A fluorinated benzonitrile building block

As a dihalogenated building block for the synthesis of APIs

5-Chloro-2-fluorobenzonitrile (CAS number 57381-34-7) is a building block derived from benzonitrile, with fluoride next to the cyano and chloride opposite to the fluoride function group. 5-Chloro-2-fluorobenzonitrile can be used in the synthesis of aminobenzo[b]thiophene, in cooperation with ethyl mercaptoacetate under basic conditions. The resulting product is used as a kinase inhibitor and has enormous potential for further derivatization to achieve tailored binding affinity.

5-Chloro-2-fluorobenzonitrile is also employed in the preparation of aryl ether inhibitors of Bacillus anthracis enoyl–ACP reductase.

Multiple functional groups

Multiple functional groups

For facile synthesis

Fluorinated benzonitrile building block

Fluorinated benzonitrile building block

For drug discovery, medicinal chemistry, and organic synthesis

competitively priced 57381-34-7

Low Cost

Competitively priced, high quality product

High purity 57381-34-7

High purity

>98% High purity

General Information

CAS Number 57381-34-7
Chemical Formula C7H3ClFN
Full Name 5-Chloro-2-fluorobenzonitrile
Molecular Weight 155.56 g/mol
Synonyms 5-Chloro-2-fluorocyanobenzene, 5-Chloro-2-fluorobenzyl cyanide
Classification / Family Fluorinated building blocks, Benzonitrile building blocks, APIs, Bicyclic heterocycles

Chemical Structure

5-Chloro-2-fluorobenzonitrile chemical structure, CAS 57381-34-7
5-Chloro-2-fluorobenzonitrile chemical structure, CAS 57381-34-7

Product Details

Purity 98%
Melting Point Tm = 67 °C – 70 °C
Appearance White Crystals

MSDS Documentation

5-Chloro-2-fluorobenzonitrile5-Chloro-2-fluorobenzonitrile MSDS Sheet

Literature and Reviews

  1. Discovery of milvexian, a high-Affinity, orally bioavailable inhibitor of factor XIa in clinical studies for antithrombotic therapy, A. Dilger et al., J. Med. Chem., 65 (3), 1770–1785 (2022); DOI: 10.1021/acs.jmedchem.1c00613.
  2. Synthesis and structure-activity relationship studies of 2-(1,3,4-oxadiazole-2(3H)-thione)-3-amino-5-aryl-thieno[2,3-b]pyridines as inhibitors of DRAK2, P. Leonczak et al., ChemMedChem, 9 (11), 2587–2601 (2014); DOI: 10.1002/cmdc.201402234.
  3. Microwave-assisted synthesis of 3-aminobenzo[b]-thiophene scaffolds for the preparation of kinase inhibitors, M. Bagley et al., Org. Biomol. Chem., 13, 6814–6824 (2015); DOI: 10.1039/c5ob00819k.
  4. Design and synthesis of aryl ether inhibitors of the bacillus anthracis enoyl–ACP reductase, S. Tipparaju et al., ChemMedChem., 3 (8), 1250–1268 (2008); DOI: 10.1002/cmdc.200800047.
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