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CAS 583-02-8

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

Description:
Benzoic acid, 4-(trifluoromethyl)-, ethyl ester, commonly referred to as ethyl 4-(trifluoromethyl)benzoate, is an organic compound characterized by its ester functional group derived from benzoic acid. It features a trifluoromethyl group (-CF3) attached to the para position of the benzene ring, which significantly influences its chemical properties, including increased lipophilicity and potential biological activity. This compound is typically a colorless to pale yellow liquid with a distinctive aromatic odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic characteristics. Ethyl 4-(trifluoromethyl)benzoate is often used in organic synthesis and as an intermediate in the production of pharmaceuticals, agrochemicals, and other fine chemicals. Its trifluoromethyl group can enhance the compound's stability and reactivity, making it a valuable building block in various chemical reactions. Safety data should be consulted for handling, as it may pose health risks if ingested or inhaled.
Formula:C10H9F3O2
InChI:InChI=1S/C10H9F3O2/c1-2-15-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6H,2H2,1H3
InChI key:InChIKey=ZQDADDSPMCHZPX-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC=C(C(F)(F)F)C=C1
Synonyms:
  • Benzoic acid, 4-(trifluoromethyl)-, ethyl ester
  • Ethyl 4-trifluoromethylbenzoate
  • Ethyl p-trifluoromethylbenzoate
  • p-Toluic acid, α,α,α-trifluoro-, ethyl ester
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