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CAS 351354-50-2

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Benzoic acid, 2,3,4-trifluoro-, ethyl ester

Description:
Benzoic acid, 2,3,4-trifluoro-, ethyl ester, with the CAS number 351354-50-2, is an organic compound characterized by its ester functional group derived from benzoic acid and ethyl alcohol. This compound features a trifluoromethyl substitution at the 2, 3, and 4 positions of the benzene ring, which significantly influences its chemical properties, including increased lipophilicity and altered reactivity. The presence of fluorine atoms enhances the compound's stability and can affect its solubility in various solvents. Typically, esters like this one are known for their pleasant fragrances and are often used in flavoring and fragrance applications. Additionally, the trifluoromethyl groups can impart unique biological activities, making such compounds of interest in medicinal chemistry and agrochemicals. The compound is likely to be a colorless liquid or solid, depending on its purity and temperature, and should be handled with care due to potential toxicity and environmental impact. As with many fluorinated compounds, it may exhibit distinct physical and chemical behaviors compared to its non-fluorinated analogs.
Formula:C9H7F3O2
InChI:InChI=1S/C9H7F3O2/c1-2-14-9(13)5-3-4-6(10)8(12)7(5)11/h3-4H,2H2,1H3
InChI key:InChIKey=MLANUBGYWOMWLZ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(F)C(F)=C(F)C=C1
Synonyms:
  • 2,3,4-Trifluorobenzoic acid ethyl ester
  • Benzoic acid, 2,3,4-trifluoro-, ethyl ester
  • Ethyl 2,3,4-trifluorobenzoate
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