2-{2-[(chlorosulfonyl)methyl]phenyl}acetic acid CAS 1547458-39-8

Purity 97%+In StockPharmaceutical Standards
CAS No.1547458-39-8
Molecular FormulaC9H9ClO4S
Molecular Weight248.68 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-{2-[(chlorosulfonyl)methyl]phenyl}acetic acid CAS 1547458-39-8 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-{2-[(chlorosulfonyl)methyl]phenyl}acetic acid.

CATO supplies 2-{2-[(chlorosulfonyl)methyl]phenyl}acetic acid (CAS 1547458-39-8), a certified reference material (molecular formula C9H9ClO4S, MW 248.68 g/mol) for analytical method development and quality control.

Structurally, 2-{2-[(chlorosulfonyl)methyl]phenyl}acetic acid (C9H9ClO4S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 248.68 g/mol, it falls into the medium-molecular-weight range. 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.)1992
Halogen ContentCl-containing
Sulfur Atoms1

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