CAS 773138-93-5
:benzoic acid, 3-chloro-5-fluoro-, ethyl ester
Description:
Benzoic acid, 3-chloro-5-fluoro-, ethyl ester, with the CAS number 773138-93-5, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a benzoic acid backbone substituted with a chlorine atom at the 3-position and a fluorine atom at the 5-position of the aromatic ring, along with an ethyl ester group. The presence of halogen substituents (chlorine and fluorine) can influence the compound's reactivity, polarity, and solubility, often enhancing its biological activity. Typically, esters like this one are known for their pleasant odors and are used in various applications, including as flavoring agents or in the synthesis of pharmaceuticals. The molecular structure contributes to its potential utility in organic synthesis and medicinal chemistry. Additionally, the compound's physical properties, such as boiling point and solubility, would be influenced by the presence of the halogen substituents and the ethyl group, making it an interesting subject for further study in chemical research and applications.
Formula:C9H8ClFO2
InChI:InChI=1/C9H8ClFO2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3
SMILES:CCOC(=O)c1cc(cc(c1)F)Cl
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