2-(4-(4-Chloro-1H-pyrazol-1-yl)benzyl)isothiazol-3(2H)-one CAS 918108-07-3
| CAS No. | 918108-07-3 |
| Molecular Formula | C13H10ClN3OS |
| Molecular Weight | 291.76 g/mol |
| 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.
2-(4-(4-Chloro-1H-pyrazol-1-yl)benzyl)isothiazol-3(2H)-one (CAS 918108-07-3), molecular formula C13H10ClN3OS and molecular weight 291.76 g/mol, is a CATO reference standard with documented purity and traceability.
2-(4-(4-Chloro-1H-pyrazol-1-yl)benzyl)isothiazol-3(2H)-one (C13H10ClN3OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H10ClN3OS |
| Molecular Weight | 291.76 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 2-(4-(1H-Pyrazol-1-yl)benzyl)-5-chloroisothiazol-3(2H)-one (CAS 918108-06-2)
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