CAS 86239-04-5

Benzoic acid, 4-(fluoromethyl)-, ethyl ester

Description:

Benzoic acid, 4-(fluoromethyl)-, ethyl ester, identified by CAS number 86239-04-5, is an organic compound characterized by its ester functional group derived from benzoic acid and ethyl alcohol. This compound features a fluoromethyl group (-CH2F) attached to the para position of the benzene ring, which can influence its chemical reactivity and physical properties. Typically, esters like this one exhibit moderate volatility and are often soluble in organic solvents while having limited solubility in water. The presence of the fluoromethyl group may impart unique characteristics, such as increased lipophilicity and potential biological activity. In terms of applications, compounds of this nature can be utilized in organic synthesis, as intermediates in pharmaceuticals, or as flavoring agents. Safety data should be consulted for handling and exposure guidelines, as the presence of fluorine can affect toxicity and environmental impact. Overall, this compound exemplifies the diverse chemistry of substituted benzoic acid derivatives.

Formula: C₁₀H₁₁FO₂

InChI: InChI=1S/C10H11FO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7H2,1H3

InChI key: InChIKey=KZWSSLGYISINFE-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC=C(CF)C=C1

Synonyms:

• Ethyl 4-(fluoromethyl)benzoate
• Benzoic acid, 4-(fluoromethyl)-, ethyl ester