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CAS 7116-38-3

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Benzenepropanoic acid, 4-fluoro-, ethyl ester

Description:
Benzenepropanoic acid, 4-fluoro-, ethyl ester, also known as ethyl 4-fluorobenzoate, is an organic compound characterized by its aromatic structure and the presence of both a carboxylic acid and an ester functional group. It features a benzene ring substituted with a fluorine atom at the para position relative to the propanoic acid moiety. This compound is typically a colorless to pale yellow liquid with a pleasant odor, and it is soluble in organic solvents such as ethanol and ether, but has limited solubility in water due to its hydrophobic aromatic structure. The presence of the fluorine atom can influence its reactivity and physical properties, often enhancing its lipophilicity and potentially affecting its biological activity. Ethyl 4-fluorobenzoate is used in various applications, including as an intermediate in organic synthesis and in the production of pharmaceuticals and agrochemicals. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.
Formula:C11H13FO2
InChI:InChI=1S/C11H13FO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2,5,8H2,1H3
InChI key:InChIKey=RFDMUTQYDLCBFL-UHFFFAOYSA-N
SMILES:C(CC(OCC)=O)C1=CC=C(F)C=C1
Synonyms:
  • Hydrocinnamic acid, p-fluoro-, ethyl ester
  • Ethyl 4-fluorobenzenepropanoate
  • Benzenepropanoic acid, 4-fluoro-, ethyl ester
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