5-(chlorosulfonyl)-2-ethylbenzoic acid CAS 866358-16-9

Purity 97%+In StockPharmaceutical Standards
CAS No.866358-16-9
Molecular FormulaC9H9ClO4S
Molecular Weight248.68 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(chlorosulfonyl)-2-ethylbenzoic acid CAS 866358-16-9 chemical structure

Description

The occurrence of 5-(chlorosulfonyl)-2-ethylbenzoic 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-(chlorosulfonyl)-2-ethylbenzoic acid (CAS 866358-16-9), molecular formula C9H9ClO4S and molecular weight 248.68 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 5-(chlorosulfonyl)-2-ethylbenzoic acid (C9H9ClO4S) 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.

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 FormulaC9H9ClO4S
Molecular Weight248.68 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; 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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