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CAS 26107-80-2

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Benzoic acid, 3,5-bis(trifluoromethyl)-, methyl ester

Description:
Benzoic acid, 3,5-bis(trifluoromethyl)-, methyl ester, with the CAS number 26107-80-2, is an aromatic compound characterized by the presence of a benzoic acid moiety substituted with two trifluoromethyl groups at the 3 and 5 positions, along with a methyl ester functional group. This compound typically exhibits a high degree of lipophilicity due to the presence of the trifluoromethyl groups, which can enhance its biological activity and influence its solubility in organic solvents. The trifluoromethyl groups are known for their electron-withdrawing properties, which can affect the acidity and reactivity of the compound. Benzoic acid derivatives are often utilized in various applications, including as preservatives, in pharmaceuticals, and in organic synthesis. The methyl ester form can enhance the compound's volatility and reactivity, making it useful in chemical reactions. Overall, this compound's unique structure contributes to its potential utility in various chemical and industrial applications.
Formula:C10H6F6O2
InChI:InChI=1S/C10H6F6O2/c1-18-8(17)5-2-6(9(11,12)13)4-7(3-5)10(14,15)16/h2-4H,1H3
InChI key:InChIKey=LTYNBDAJUXZFHP-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(C(F)(F)F)=CC(C(OC)=O)=C1
Synonyms:
  • 3,5-Bis(trifluoromethyl)benzoic acid methyl ester
  • Benzoic acid, 3,5-bis(trifluoromethyl)-, methyl ester
  • Methyl 3,5-bis(trifluoromethyl)benzoate
  • Methyl 3,5-bistrifluoromethylbenzoate
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