5-Nitro-1,3-dihydro-2,1-benzothiazol-3-one CAS 63285-88-1
| CAS No. | 63285-88-1 |
| Molecular Formula | C7H4N2O3S |
| Molecular Weight | 196.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
5-Nitro-1,3-dihydro-2,1-benzothiazol-3-one (CAS 63285-88-1), molecular formula C7H4N2O3S and molecular weight 196.18 g/mol, is a CATO reference standard with documented purity and traceability.
5-Nitro-1,3-dihydro-2,1-benzothiazol-3-one (C7H4N2O3S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C7H4N2O3S |
| Molecular Weight | 196.18 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1975 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Nitro Standards
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