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CAS 167758-88-5

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

Description:
Benzoic acid, 4-fluoro-2-methyl-, ethyl ester, also known by its CAS number 167758-88-5, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a fluoro substituent at the para position and a methyl group at the ortho position relative to the carboxylic acid moiety. The presence of the ethyl ester group enhances its lipophilicity, making it more soluble in organic solvents compared to its parent acid. Typically, esters like this one exhibit pleasant, fruity odors and are often used in flavoring and fragrance applications. The fluorine atom can influence the compound's reactivity and stability, potentially affecting its interactions in biological systems. Additionally, the compound may exhibit moderate to low toxicity, but specific safety data should be consulted for handling and usage. Overall, this compound is of interest in various fields, including organic synthesis, pharmaceuticals, and agrochemicals, due to its unique structural features and potential applications.
Formula:C10H11FO2
InChI:InChI=1S/C10H11FO2/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3
InChI key:InChIKey=RLCFHMSCTWXLTQ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(C)C=C(F)C=C1
Synonyms:
  • Benzoic Acid, 4-Fluoro-2-Methyl-, Ethyl Ester
  • Ethyl 4-fluoro-2-methylbenzoate
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