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CAS 773134-90-0

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Ethyl 2,3,6-trifluorobenzoate

Description:
Ethyl 2,3,6-trifluorobenzoate is an organic compound characterized by the presence of a benzoate functional group with three fluorine atoms substituted at the 2, 3, and 6 positions of the aromatic ring. This compound typically appears as a colorless to pale yellow liquid with a distinctive odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic aromatic structure. The trifluoromethyl groups contribute to its unique chemical properties, including increased electronegativity and potential reactivity in various chemical reactions, such as nucleophilic substitutions or electrophilic aromatic substitutions. Ethyl 2,3,6-trifluorobenzoate may be used in the synthesis of pharmaceuticals, agrochemicals, and other fluorinated compounds, leveraging the stability and reactivity imparted by the fluorine atoms. Safety data indicates that, like many fluorinated compounds, it should be handled with care, as it may pose health risks if inhaled or ingested. Proper safety protocols should be followed when working with this substance.
Formula:C9H7F3O2
InChI:InChI=1S/C9H7F3O2/c1-2-14-9(13)7-5(10)3-4-6(11)8(7)12/h3-4H,2H2,1H3
InChI key:InChIKey=KTSYUGKWNTYIGK-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(F)C(F)=CC=C1F
Synonyms:
  • Ethyl 2,3,6-trifluorobenzoate
  • Benzoic acid, 2,3,6-trifluoro-, ethyl ester
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