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CAS 127510-96-7

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Benzoic acid, 2-cyano-4-fluoro-, methyl ester

Description:
Benzoic acid, 2-cyano-4-fluoro-, methyl ester, with the CAS number 127510-96-7, is an organic compound characterized by its functional groups, which include a benzoic acid moiety, a cyano group, and a fluorine atom. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its moderate polarity due to the presence of the ester and cyano groups, which can influence its solubility in various organic solvents. The fluorine atom contributes to its unique reactivity and potential applications in pharmaceuticals and agrochemicals. The compound may exhibit biological activity, making it of interest in medicinal chemistry. Additionally, its structure suggests potential for hydrogen bonding and dipole interactions, which can affect its physical properties such as boiling point and melting point. Safety data should be consulted for handling, as with many organic compounds, it may pose health risks if ingested or inhaled.
Formula:C9H6FNO2
InChI:InChI=1S/C9H6FNO2/c1-13-9(12)8-3-2-7(10)4-6(8)5-11/h2-4H,1H3
InChI key:InChIKey=BCYCPVRVZPDHEC-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(C#N)C=C(F)C=C1
Synonyms:
  • Methyl 2-cyano-4-fluorobenzoate
  • Benzoic acid, 2-cyano-4-fluoro-, methyl ester
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