CAS 577-62-8

Benzoic acid, 2-(trifluoromethyl)-, ethyl ester

Description:

Benzoic acid, 2-(trifluoromethyl)-, ethyl ester, commonly referred to as ethyl 2-(trifluoromethyl)benzoate, is an organic compound characterized by its ester functional group and the presence of a trifluoromethyl group attached to a benzoic acid moiety. This compound typically appears as a colorless to pale yellow liquid with a distinct aromatic odor. It is known for its relatively low solubility in water but is soluble in organic solvents such as ethanol and ether. The trifluoromethyl group contributes to its unique chemical properties, including increased lipophilicity and potential reactivity in various chemical reactions, making it useful in synthetic organic chemistry. Additionally, this compound may exhibit biological activity, which can be of interest in pharmaceutical applications. Safety data indicates that it should be handled with care, as it may pose health risks upon exposure. Overall, ethyl 2-(trifluoromethyl)benzoate is a valuable compound in both industrial and research settings.

Formula: C₁₀H₉F₃O₂

InChI: InChI=1S/C10H9F3O2/c1-2-15-9(14)7-5-3-4-6-8(7)10(11,12)13/h3-6H,2H2,1H3

InChI key: InChIKey=BQLMZZVRHPZRBQ-UHFFFAOYSA-N

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

Synonyms:

• 2-(Trifluoromethyl)benzoic acid ethyl ester
• 2-Trifluoromethylbenzoic acid ethyl ester
• 577-62-8
• Benzoic acid, 2-(trifluoromethyl)-, ethyl ester
• Ethyl alpha,alpha,alpha-o-toluate
• Ethyl o-(trifluoromethyl)benzoate
• Fxffr Bvo2
• o-Toluic acid, α,α,α-trifluoro-, ethyl ester
• Ethyl 2-(trifluoromethyl)benzoate
• Ethyl 2-(trifluoromethyl)benzoate

Benzoic acid, 2-(trifluoromethyl)-, ethyl ester

CAS: 577-62-8

Formula: C₁₀H₉F₃O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 218.1725

Ref: IN-DA00E987

Ethyl 2-(trifluoromethyl)benzoate

CAS: 577-62-8

Ethyl 2-(trifluoromethyl)benzoate

Formula: C₁₀H₉F₃O₂

Purity: 95%

Color and Shape: clear. colourless liquid

Molecular weight: 218.17g/mol

Ref: 54-PC3286

Ethyl 2-(trifluoromethyl)benzoate

CAS: 577-62-8

Formula: C₁₀H₉F₃O₂

Purity: 97%

Color and Shape: Clear

Molecular weight: 218.175

Ref: 10-F006145

Ethyl 2-(Trifluoromethyl)Benzoate

CAS: 577-62-8

Ethyl 2-(Trifluoromethyl)Benzoate is a substance that has been used for research purposes. It is an active metabolite of the antidepressant fluoxetine. A homology model of this compound has been created and optimized using computational methods, with the aim of optimizing its transport properties. The pharmacophore of this compound has also been identified using laboratory tests and it has been shown to have a pharmacokinetic effect on rats. Modifications made to the structure of Ethyl 2-(Trifluoromethyl)Benzoate have resulted in different physicochemical properties, which means that it could be suitable for use in other therapeutic areas.

Formula: C₁₀H₉F₃O₂

Purity: Min. 95%

Molecular weight: 218.17 g/mol

Ref: 3D-FE80989