5-Fluorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide CAS 29083-18-9

Purity 97%+In StockPharmaceutical Standards
CAS No.29083-18-9
Molecular FormulaC7H4FNO3S
Molecular Weight201.17 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Fluorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide CAS 29083-18-9 chemical structure

Description

Based on its molecular formula C7H4FNO3S, 5-Fluorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 201.17 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).

5-Fluorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide (CAS 29083-18-9) is a high-purity analytical reference standard with the molecular formula C7H4FNO3S and a molecular weight of 201.17 g/mol.

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 FormulaC7H4FNO3S
Molecular Weight201.17 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, DMSO, water
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1965
Halogen ContentF-containing
Nitrogen Atoms1
Sulfur Atoms1

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