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CAS 952107-73-2

:

methyl 4-(4,4,4-trifluorobutanoyl)benzoate

Description:
Methyl 4-(4,4,4-trifluorobutanoyl)benzoate, identified by its CAS number 952107-73-2, is an organic compound characterized by its ester functional group. This compound features a methyl ester derived from benzoic acid, with a trifluorobutanoyl substituent at the para position of the aromatic ring. The presence of the trifluoromethyl group imparts unique properties, such as increased lipophilicity and potential biological activity, making it of interest in various fields, including pharmaceuticals and agrochemicals. The molecular structure suggests that it may exhibit moderate to high stability under standard conditions, although the trifluoromethyl group can influence its reactivity and interactions with other chemical species. Additionally, the compound's solubility in organic solvents and limited solubility in water are typical for esters, which can affect its application in different chemical processes. Overall, methyl 4-(4,4,4-trifluorobutanoyl)benzoate is a compound with distinctive characteristics that may be leveraged in synthetic chemistry and material science.
Formula:C12H11F3O3
InChI:InChI=1S/C12H11F3O3/c1-18-11(17)9-4-2-8(3-5-9)10(16)6-7-12(13,14)15/h2-5H,6-7H2,1H3
InChI key:XVURFJMSEZUKMS-UHFFFAOYSA-N
SMILES:COC(=O)c1ccc(cc1)C(=O)CCC(F)(F)F
Synonyms:
  • Benzoic acid, 4-(4,4,4-trifluoro-1-oxobutyl)-, methyl ester
Found 3 products.