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CAS 2557-13-3

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Benzoic acid, 3-(trifluoromethyl)-, methyl ester

Description:
Benzoic acid, 3-(trifluoromethyl)-, methyl ester, commonly referred to as methyl 3-(trifluoromethyl)benzoate, is an aromatic compound characterized by the presence of a benzoate structure with a trifluoromethyl group at the meta position. This compound has a molecular formula that reflects its ester functionality, which is derived from benzoic acid. The trifluoromethyl group contributes to its unique chemical properties, including increased lipophilicity and potential reactivity in various chemical reactions. Methyl 3-(trifluoromethyl)benzoate is typically a colorless liquid or solid, depending on temperature, and exhibits a distinct aromatic odor. It is soluble in organic solvents and has limited solubility in water. This compound is of interest in organic synthesis and may be utilized in the development of pharmaceuticals, agrochemicals, and other fine chemicals due to its reactivity and the influence of the trifluoromethyl group on biological activity. Safety precautions should be taken when handling this substance, as it may pose health risks if ingested or inhaled.
Formula:C9H7F3O2
InChI:InChI=1S/C9H7F3O2/c1-14-8(13)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3
InChI key:InChIKey=QQHNNQCWKYFNAC-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(C(F)(F)F)=CC=C1
Synonyms:
  • 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanone
  • 3-(Trifluoromethyl)Benzoic Acid Methyl Ester
  • 3-Carbomethoxybenzotrifluoride
  • 3-Trifluoromethyl-Benzoic Aic Methyl Ester
  • 3-Trifluoromethylbenzoic acid methyl ester
  • Benzoic acid, 3-(trifluoromethyl)-, methyl ester
  • M-Carbomethoxybenzotrifluoride
  • Methyl 3-Trifluoromethylbenzoate
  • Methyl Alpha,Alpha,Alpha-Trifluoro-M-Toluate
  • Methyl M-(Trifluoromethyl)Benzoate
  • See more synonyms
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