Sodium 3-oxo-3H-benzo[d]isothiazol-2-ide 1,1-dioxide hydrate CAS 856107-05-6
| CAS No. | 856107-05-6 |
| Molecular Formula | C7H4NO3S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Sodium 3-oxo-3H-benzo[d]isothiazol-2-ide 1,1-dioxide hydrate (CAS 856107-05-6) is a high-purity analytical reference standard with the molecular formula C7H4NO3SNaH2O and a molecular weight of 223.18 g/mol.
Based on its molecular formula C7H4NO3SNaH2O, Sodium 3-oxo-3H-benzo[d]isothiazol-2-ide 1,1-dioxide hydrate contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 223.18 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 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.) | 1987 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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