CAS 57381-63-2
:Benzoic acid, 2-chloro-5-fluoro-, ethyl ester
Description:
Benzoic acid, 2-chloro-5-fluoro-, ethyl ester, identified by the CAS number 57381-63-2, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a benzene ring substituted with both a chlorine atom at the 2-position and a fluorine atom at the 5-position, which influences its chemical reactivity and physical properties. As an ethyl ester, it has an ethyl group attached to the carboxylic acid moiety, enhancing its solubility in organic solvents. The presence of halogen substituents typically imparts unique characteristics, such as increased lipophilicity and potential biological activity. Benzoic acid derivatives are often studied for their applications in pharmaceuticals, agrochemicals, and as intermediates in organic synthesis. The compound may exhibit moderate toxicity and should be handled with care in laboratory settings. Its specific melting point, boiling point, and solubility characteristics would depend on the molecular interactions influenced by the halogen substituents and the ester group.
Formula:C9H8ClFO2
InChI:InChI=1S/C9H8ClFO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3
InChI key:InChIKey=GWENTXANAYAWIK-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(Cl)C=CC(F)=C1
Synonyms:- Ethyl 2-chloro-5-fluorobenzoate
- Benzoic acid, 2-chloro-5-fluoro-, ethyl ester
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