5-chloro-2-(ethylsulfanyl)benzoic acid CAS 1249627-95-9

Purity 97%+In StockPharmaceutical Standards
CAS No.1249627-95-9
Molecular FormulaC9H9ClO2S
Molecular Weight216.68 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-chloro-2-(ethylsulfanyl)benzoic acid CAS 1249627-95-9 chemical structure

Description

The occurrence of 5-chloro-2-(ethylsulfanyl)benzoic acid 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.

5-chloro-2-(ethylsulfanyl)benzoic acid (CAS 1249627-95-9), molecular formula C9H9ClO2S and molecular weight 216.68 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C9H9ClO2S, 5-chloro-2-(ethylsulfanyl)benzoic acid contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 216.68 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

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.

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.)1990
Halogen ContentCl-containing
Sulfur Atoms1

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