Methyl 5-chloro-2-(methylthio)benzoate CAS 861306-45-8

Purity 97%+In StockPharmaceutical Standards
CAS No.861306-45-8
Molecular FormulaC9H9ClO2S
Molecular Weight216.68 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 5-chloro-2-(methylthio)benzoate CAS 861306-45-8 chemical structure

Description

The occurrence of Methyl 5-chloro-2-(methylthio)benzoate is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies Methyl 5-chloro-2-(methylthio)benzoate (CAS 861306-45-8), a certified reference material (molecular formula C9H9ClO2S, MW 216.68 g/mol) for analytical method development and quality control.

The molecular framework of Methyl 5-chloro-2-(methylthio)benzoate (C9H9ClO2S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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.

As a certified reference material (CRM), Methyl 5-chloro-2-(methylthio)benzoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC9H9ClO2S
Molecular Weight216.68 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.)1987
Halogen ContentCl-containing
Sulfur Atoms1

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