CAS 79676-57-6

2-[(Trifluoromethyl)sulfinyl]benzoic acid

Description:

2-[(Trifluoromethyl)sulfinyl]benzoic acid, with the CAS number 79676-57-6, is an organic compound characterized by the presence of a benzoic acid moiety substituted with a trifluoromethylsulfinyl group. This compound typically exhibits a white to off-white crystalline appearance and is known for its unique chemical properties due to the trifluoromethyl group, which enhances its lipophilicity and stability. The sulfinyl functional group contributes to its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. The presence of both the carboxylic acid and sulfinyl functionalities allows for potential applications in pharmaceuticals and agrochemicals, where it may serve as an intermediate or active ingredient. Additionally, the trifluoromethyl group can impart desirable characteristics such as increased metabolic stability and altered biological activity. As with many fluorinated compounds, it may exhibit unique interactions with biological systems, warranting further investigation into its properties and potential applications.

Formula: C₈H₅F₃O₃S

InChI: InChI=1S/C8H5F3O3S/c9-8(10,11)15(14)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)

InChI key: InChIKey=MTEJDYCESKKPRC-UHFFFAOYSA-N

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

Synonyms:

• 2-[(Trifluoromethyl)sulfinyl]benzoic acid
• 2-Trifluoromethanesulfinylbenzoic acid
• Benzoic acid, 2-[(trifluoromethyl)sulfinyl]-

2-Trifluoromethanesulfinylbenzoic acid

CAS: 79676-57-6

Versatile small molecule scaffold

Formula: C₈H₅F₃O₃S

Purity: Min. 95%

Molecular weight: 238.19 g/mol

Ref: 3D-EDA67657