3-(Methylthio)-5-(trifluoromethyl)benzoic acid CAS 53985-40-3

Purity 97%+In StockPharmaceutical Standards
CAS No.53985-40-3
Molecular FormulaC9H7F3O2S
Molecular Weight236.21 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(Methylthio)-5-(trifluoromethyl)benzoic acid CAS 53985-40-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 236.21 g/mol gives 3-(Methylthio)-5-(trifluoromethyl)benzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 3-(Methylthio)-5-(trifluoromethyl)benzoic acid (CAS 53985-40-3), a certified reference material (molecular formula C9H7F3O2S, MW 236.21 g/mol) for analytical method development and quality control.

The molecular framework of 3-(Methylthio)-5-(trifluoromethyl)benzoic acid (C9H7F3O2S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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.

CATO manufactures 3-(Methylthio)-5-(trifluoromethyl)benzoic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC9H7F3O2S
Molecular Weight236.21 g/mol
Purity97%+
StorageStore at room temperature, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1972
Halogen ContentF-containing
Sulfur Atoms1

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