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CAS 1017778-12-9

:

2-Methyl-5-(trifluoromethyl)benzenepropanoic acid

Description:
2-Methyl-5-(trifluoromethyl)benzenepropanoic acid, also known by its CAS number 1017778-12-9, is an aromatic carboxylic acid characterized by the presence of a propanoic acid functional group attached to a benzene ring that has both a methyl group and a trifluoromethyl group as substituents. The trifluoromethyl group contributes to the compound's unique electronic properties, enhancing its lipophilicity and potentially influencing its reactivity and interactions in biological systems. This compound is likely to exhibit moderate solubility in organic solvents and limited solubility in water due to the hydrophobic nature of the aromatic and trifluoromethyl groups. Its structure suggests potential applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis. The presence of the carboxylic acid group indicates that it can participate in acid-base reactions, and its aromatic nature may allow for various electrophilic substitution reactions. Overall, 2-Methyl-5-(trifluoromethyl)benzenepropanoic acid is a compound of interest in both industrial and research contexts due to its distinctive chemical properties.
Formula:C11H11F3O2
InChI:InChI=1S/C11H11F3O2/c1-7-2-4-9(11(12,13)14)6-8(7)3-5-10(15)16/h2,4,6H,3,5H2,1H3,(H,15,16)
InChI key:InChIKey=LEZUFWDQUJMBCA-UHFFFAOYSA-N
SMILES:C(CC(O)=O)C1=CC(C(F)(F)F)=CC=C1C
Synonyms:
  • Benzenepropanoic acid, 2-methyl-5-(trifluoromethyl)-
  • 2-Methyl-5-(trifluoromethyl)benzenepropanoic acid
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