2-((5-(Trifluoromethyl)pyridin-2-yl)thio)benzoic acid CAS 478080-58-9

Purity 97%+In StockPharmaceutical Standards
CAS No.478080-58-9
Molecular FormulaC13H8F3NO2S
Molecular Weight299.27 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((5-(Trifluoromethyl)pyridin-2-yl)thio)benzoic acid CAS 478080-58-9 chemical structure

Description

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

2-((5-(Trifluoromethyl)pyridin-2-yl)thio)benzoic acid (CAS 478080-58-9) is a high-purity analytical reference standard with the molecular formula C13H8F3NO2S and a molecular weight of 299.27 g/mol.

2-((5-(Trifluoromethyl)pyridin-2-yl)thio)benzoic acid (C13H8F3NO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

Physical & Chemical Properties

Molecular FormulaC13H8F3NO2S
Molecular Weight299.27 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms1
Sulfur Atoms1

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