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CAS 176694-36-3

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methyl 4-fluoro-3-(trifluoromethyl)benzoate

Description:
Methyl 4-fluoro-3-(trifluoromethyl)benzoate is an aromatic ester characterized by the presence of a methyl ester functional group attached to a benzene ring that has both a fluorine atom and a trifluoromethyl group as substituents. The molecular structure features a fluorine atom at the para position and a trifluoromethyl group at the meta position relative to the ester group, contributing to its unique chemical properties. This compound is typically a colorless to pale yellow liquid or solid, depending on temperature and purity. It is known for its relatively low volatility and moderate solubility in organic solvents, which makes it useful in various chemical applications, including as an intermediate in organic synthesis and in the production of pharmaceuticals. The presence of multiple fluorine atoms enhances its stability and lipophilicity, which can influence its reactivity and interactions in biological systems. Safety data should be consulted for handling and exposure guidelines, as fluorinated compounds can exhibit specific toxicological profiles.
Formula:C9H6F4O2
InChI:InChI=1/C9H6F4O2/c1-15-8(14)5-2-3-7(10)6(4-5)9(11,12)13/h2-4H,1H3
SMILES:COC(=O)c1ccc(c(c1)C(F)(F)F)F
Synonyms:
  • Benzoic Acid, 4-Fluoro-3-(Trifluoromethyl)-, Methyl Ester
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