3-chloro-4-hydroxy-1λ⁶-thiolane-1,1-dione CAS 49592-61-2

Purity 97%+In StockPharmaceutical Standards
CAS No.49592-61-2
Molecular FormulaC4H7ClO3S
Molecular Weight170.61 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-chloro-4-hydroxy-1λ⁶-thiolane-1,1-dione CAS 49592-61-2 chemical structure

Description

The occurrence of 3-chloro-4-hydroxy-1λ⁶-thiolane-1,1-dione is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 3-chloro-4-hydroxy-1λ⁶-thiolane-1,1-dione (CAS 49592-61-2), a certified reference material (molecular formula C4H7ClO3S, MW 170.61 g/mol) for analytical method development and quality control.

Based on its molecular formula C4H7ClO3S, 3-chloro-4-hydroxy-1λ⁶-thiolane-1,1-dione contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 170.61 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 FormulaC4H7ClO3S
Molecular Weight170.61 g/mol
Purity97%+
StorageStore at 2-8°C, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, DMSO, water
StabilityHygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)1.0
CAS Registry Year (est.)1971
Halogen ContentCl-containing
Sulfur Atoms1

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