4-Bromo-5-methylisothiazol-3(2H)-one CAS 25629-53-2

Purity 97%+In StockPharmaceutical Standards
CAS No.25629-53-2
Molecular FormulaC4H4BrNOS
Molecular Weight194.05 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Bromo-5-methylisothiazol-3(2H)-one CAS 25629-53-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 194.05 g/mol gives 4-Bromo-5-methylisothiazol-3(2H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-Bromo-5-methylisothiazol-3(2H)-one (CAS 25629-53-2) is a high-purity analytical reference standard with the molecular formula C4H4BrNOS and a molecular weight of 194.05 g/mol.

The molecular framework of 4-Bromo-5-methylisothiazol-3(2H)-one (C4H4BrNOS) is characterized by an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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.

As a certified reference material (CRM), 4-Bromo-5-methylisothiazol-3(2H)-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC4H4BrNOS
Molecular Weight194.05 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1964
Halogen ContentBr-containing
Nitrogen Atoms1
Sulfur Atoms1

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