CAS 50778-57-9

Benzoic acid, 2,5-bis(2,2,2-trifluoroethoxy)-, 2,2,2-trifluoroethyl ester

Description:

Benzoic acid, 2,5-bis(2,2,2-trifluoroethoxy)-, 2,2,2-trifluoroethyl ester, with CAS number 50778-57-9, is an organic compound characterized by its complex structure that includes a benzoic acid moiety and multiple trifluoroethoxy groups. This compound is typically a colorless to pale yellow liquid or solid, depending on its specific form and purity. It exhibits low solubility in water due to the presence of hydrophobic trifluoromethyl groups, but it is soluble in organic solvents such as acetone and dichloromethane. The trifluoroethyl ester functional group contributes to its unique chemical properties, including increased lipophilicity and potential applications in pharmaceuticals and agrochemicals. Additionally, the presence of fluorine atoms enhances its thermal stability and resistance to oxidation. This compound may also exhibit interesting biological activities, making it a subject of research in various fields, including medicinal chemistry. Safety data should be consulted for handling and exposure guidelines, as fluorinated compounds can have specific environmental and health considerations.

Formula: C₁₃H₉F₉O₄

InChI: InChI=1S/C13H9F9O4/c14-11(15,16)4-24-7-1-2-9(25-5-12(17,18)19)8(3-7)10(23)26-6-13(20,21)22/h1-3H,4-6H2

InChI key: InChIKey=RXCBHSJSTYMELN-UHFFFAOYSA-N

SMILES: C(OCC(F)(F)F)(=O)C1=C(OCC(F)(F)F)C=CC(OCC(F)(F)F)=C1

Synonyms:

• Benzoic acid, 2,5-bis(2,2,2-trifluoroethoxy)-, 2,2,2-trifluoroethyl ester
• Fxff1Ovr Bo1Xfff Eo1Xfff
• 2,2,2-Trifluoroethyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate

2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy) Benzoate

CAS: 50778-57-9

Formula: C₁₃H₉F₉O₄

Molecular weight: 400.20

Ref: 4Z-B-085087

2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate

Controlled Product

CAS: 50778-57-9

Applications Intermediate in the production of antiarrhythmic N-(Piperidylalkyl)trifluoroethoxybenzamides. Possible Flecainide impurity.
References Banitt, E., et al.: J. Med. Chem., 20, 821 (1977),

Formula: C₁₃H₉F₉O₄

Color and Shape: Neat

Molecular weight: 400.19

Ref: TR-T790200