5-Chloro-3-(1-methyl-1H-pyrazol-5-yl)benzo[c]isoxazole CAS 61689-22-3
| CAS No. | 61689-22-3 |
| Molecular Formula | C11H8ClN3O |
| Molecular Weight | 233.65 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
5-Chloro-3-(1-methyl-1H-pyrazol-5-yl)benzo[c]isoxazole (CAS 61689-22-3), molecular formula C11H8ClN3O and molecular weight 233.65 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 5-Chloro-3-(1-methyl-1H-pyrazol-5-yl)benzo[c]isoxazole (C11H8ClN3O) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C11H8ClN3O |
| Molecular Weight | 233.65 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1974 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloro Standards
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Recommended Standards
- 5-Chloro-3-(1-methyl-1H-imidazol-2-yl)benzo[c]isoxazole (CAS 61689-21-2)
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