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CAS 86239-00-1

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Benzoic acid, 3-fluoro-4-methyl-, ethyl ester

Description:
Benzoic acid, 3-fluoro-4-methyl-, ethyl ester, with the CAS number 86239-00-1, is an organic compound characterized by its ester functional group, which is formed from the reaction of benzoic acid and ethanol. This compound features a benzoic acid backbone substituted with a fluorine atom at the 3-position and a methyl group at the 4-position of the aromatic ring. The presence of the fluorine atom can influence the compound's reactivity and physical properties, such as solubility and boiling point. Ethyl esters are generally known for their pleasant, fruity odors and are often used in flavoring and fragrance applications. In terms of chemical behavior, this compound may exhibit moderate polarity due to the ester group, affecting its interactions in various chemical environments. Additionally, the presence of the fluorine atom may impart unique characteristics, such as increased stability and altered electronic properties, making it of interest in various chemical synthesis and pharmaceutical applications. Safety data should be consulted for handling and usage guidelines.
Formula:C10H11FO2
InChI:InChI=1S/C10H11FO2/c1-3-13-10(12)8-5-4-7(2)9(11)6-8/h4-6H,3H2,1-2H3
InChI key:InChIKey=XXAHBQYWMMITFM-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(F)=C(C)C=C1
Synonyms:
  • 3-Fluoro-4-methylbenzoic acid ethyl ester
  • Benzoic Acid, 3-Fluoro-4-Methyl-, Ethyl Ester
  • Ethyl-3-fluor-4-methylbenzolcarboxylat
  • Ethyl 3-fluoro-4-methylbenzoate
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