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CAS 327056-75-7

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Benzoic acid, 3-chloro-5-fluoro-, methyl ester

Description:
Benzoic acid, 3-chloro-5-fluoro-, methyl ester, with the CAS number 327056-75-7, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a benzene ring substituted with a chlorine atom at the 3-position and a fluorine atom at the 5-position, contributing to its unique chemical properties. As a methyl ester, it is formed by the reaction of benzoic acid with methanol, resulting in a compound that is typically a colorless to pale yellow liquid or solid. The presence of halogen substituents can influence its reactivity, solubility, and potential applications in various fields, including pharmaceuticals and agrochemicals. Benzoic acid derivatives often exhibit antimicrobial properties, and the specific substitutions in this compound may enhance its biological activity. Additionally, it may be used as an intermediate in organic synthesis or as a building block for more complex molecules. Safety data should be consulted for handling and usage, as halogenated compounds can pose environmental and health risks.
Formula:C8H6ClFO2
InChI:InChI=1S/C8H6ClFO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChI key:InChIKey=DOZOMYSFEVYLAU-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(Cl)=CC(F)=C1
Synonyms:
  • 3-Chloro-5-fluorobenzoic acid methyl ester
  • Benzoic Acid, 3-Chloro-5-Fluoro-, Methyl Ester
  • Methyl 3-chloro-5-fluorobenzoate
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