CymitQuimica logo

CAS 79538-28-6

:

Benzoic acid, 2,4,6-trifluoro-, methyl ester

Description:
Benzoic acid, 2,4,6-trifluoro-, methyl ester, with the CAS number 79538-28-6, is an organic compound characterized by its ester functional group and the presence of trifluoromethyl substituents on the aromatic ring. This compound features a benzoic acid backbone, where the hydrogen atom of the carboxylic acid group is replaced by a methyl group, forming a methyl ester. The trifluoromethyl groups at the 2, 4, and 6 positions of the benzene ring significantly influence its chemical properties, enhancing its lipophilicity and potentially altering its reactivity and stability. This compound is typically colorless to pale yellow in appearance and may exhibit a distinct odor. It is soluble in organic solvents and has limited solubility in water due to its hydrophobic characteristics. The presence of fluorine atoms can also impart unique electronic properties, making it of interest in various applications, including pharmaceuticals and agrochemicals. Safety data should be consulted for handling and exposure guidelines, as fluorinated compounds can exhibit varying degrees of toxicity.
Formula:C8H5F3O2
InChI:InChI=1S/C8H5F3O2/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3H,1H3
InChI key:InChIKey=RDAIRQLEVUNMTA-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(F)C=C(F)C=C1F
Synonyms:
  • 2,4,6-Trifluorobenzoic acid methyl ester
  • Benzoic acid, 2,4,6-trifluoro-, methyl ester
  • Methyl 2,4,6-trifluorobenzoate
  • Methyl 2,4,6-trifluorobenzoate
Sort by
Purity (%)
0
100
|
0
|
50
|
90
|
95
|
100
Found 3 products.