Sodium 3-oxo-3H-benzo[d]isothiazol-2-ide 1,1-dioxide hydrate CAS 171734-71-7
| CAS No. | 171734-71-7 |
| Molecular Formula | C7H4NO3S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Sodium 3-oxo-3H-benzo[d]isothiazol-2-ide 1,1-dioxide hydrate (CAS 171734-71-7), molecular formula C7H4NO3SNaH2O and molecular weight 223.18 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Sodium 3-oxo-3H-benzo[d]isothiazol-2-ide 1,1-dioxide hydrate (C7H4NO3SNaH2O) is characterized by an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. 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 aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
Physical & Chemical Properties
| Molecular Formula | C7H4NO3S Na H2O |
| Molecular Weight | 223.18 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 5.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2006 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Recommended Standards
- 1-(5-(Cyclopropanecarbonyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)piperidine-4-carboxylic acid (CAS 1142209-89-9)
- 5-Butyl-2-(4-ethylphenyl)pyrimidine (CAS 64835-59-2)
- 3-[(Methylsulfanyl)methyl]-1H-pyrazole (CAS 270920-35-9)
- 1,2-Dimethyl-9H-carbazole (CAS 18992-67-1)
- 2-(methylthio)pyrimidine-4,6-diol 29639-68-7 4,6-Dihydroxy-2-methylthiopyrimidine A5506 (CAS 29639-68-7)
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- Semaglutide impurity 42 (CAS CATO-C4X-222642)
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