3-Bromodihydro-2H-thiopyran-4(3H)-one 1,1-dioxide CAS 162467-21-2

Purity 97%+In StockPharmaceutical Standards
CAS No.162467-21-2
Molecular FormulaC5H7BrO3S
Molecular Weight227.08 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Bromodihydro-2H-thiopyran-4(3H)-one 1,1-dioxide CAS 162467-21-2 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 3-Bromodihydro-2H-thiopyran-4(3H)-one 1,1-dioxide.

3-Bromodihydro-2H-thiopyran-4(3H)-one 1,1-dioxide (CAS 162467-21-2), molecular formula C5H7BrO3S and molecular weight 227.08 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-Bromodihydro-2H-thiopyran-4(3H)-one 1,1-dioxide (C5H7BrO3S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 227.08 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 FormulaC5H7BrO3S
Molecular Weight227.08 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, water
StabilityHygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)2003
Halogen ContentBr-containing
Sulfur Atoms1

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