3-(4-Chlorophenyl)isoxazol-5(2H)-one CAS 467253-22-1
| CAS No. | 467253-22-1 |
| Molecular Formula | C9H6ClNO2 |
| Molecular Weight | 195.60 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.
3-(4-Chlorophenyl)isoxazol-5(2H)-one (CAS 467253-22-1) is a high-purity analytical reference standard with the molecular formula C9H6ClNO2 and a molecular weight of 195.60 g/mol.
The molecular framework of 3-(4-Chlorophenyl)isoxazol-5(2H)-one (C9H6ClNO2) 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 the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
Physical & Chemical Properties
| Molecular Formula | C9H6ClNO2 |
| Molecular Weight | 195.60 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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 |
Related Chlorophenyl Standards
- 3-(3-Chlorophenyl)-5-hydroxyisoxazole (CAS 1354923-77-5)
- 3-(2-Chlorophenyl)-5-hydroxyisoxazole (CAS 1354938-66-1)
- 5-(4-Chlorophenyl)isoxazol-3-ol (CAS 14723-58-1)
- 2-(3-Chlorophenyl)oxazol-5(4H)-one (CAS 75152-20-4)
- 2-(4-Chlorophenyl)oxazol-5(4H)-one (CAS 22887-53-2)
- 3-(2-Chlorophenyl)isoxazol-5(4H)-one (CAS 27025-73-6)
- 3-(3-Chlorophenyl)isoxazol-5(4H)-one (CAS 51725-85-0)
- 3-(4-Chlorophenyl)-5-hydroxyisoxazole (CAS 862588-73-6)
Recommended Standards
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- 2-Methyl-benzooxazole-6-carbonyl chloride (CAS 202195-57-1)
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- (1-(3-Fluorophenyl)-1H-pyrazol-4-yl)methanamine hydrochloride (CAS 1390655-01-2)
- 2-(3-(5-Methyl-2h-tetrazol-2-yl)adamantan-1-yl)acetyl chloride (CAS 861508-53-4)
- 4-Oxa-7-azaspiro[2.5]octane (CAS 220291-92-9)
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