(3-(2-Chlorophenyl)-5-methylisoxazol-4-yl)methanol CAS 495417-33-9
| CAS No. | 495417-33-9 |
| Molecular Formula | C11H10ClNO2 |
| Molecular Weight | 223.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(3-(2-Chlorophenyl)-5-methylisoxazol-4-yl)methanol (CAS 495417-33-9) is a high-purity analytical reference standard with the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol.
Based on its molecular formula C11H10ClNO2, (3-(2-Chlorophenyl)-5-methylisoxazol-4-yl)methanol contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 223.66 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C11H10ClNO2 |
| Molecular Weight | 223.66 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- (2-Chloro-7-methoxyquinolin-3-yl)methanol (CAS 333408-48-3)
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- 2-Bromo-4-chloro-5-methylphenol (CAS 112135-31-6)
- Tirzepatide Impurity 15 (CAS CATO-C4X-324015)
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