(5-(3,4-Dichlorophenyl)isoxazol-3-yl)methanol CAS 338776-95-7
| CAS No. | 338776-95-7 |
| Molecular Formula | C10H7Cl2NO2 |
| Molecular Weight | 244.07 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(5-(3,4-Dichlorophenyl)isoxazol-3-yl)methanol (CAS 338776-95-7), molecular formula C10H7Cl2NO2 and molecular weight 244.07 g/mol, is a CATO reference standard with documented purity and traceability.
(5-(3,4-Dichlorophenyl)isoxazol-3-yl)methanol (C10H7Cl2NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, 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, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C10H7Cl2NO2 |
| Molecular Weight | 244.07 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| 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 |
Related Dichlorophenyl Standards
- (3-(2,5-Dichlorophenyl)isoxazol-5-yl)methanol (CAS 1159981-78-8)
- 1-(2,4-Dichlorophenyl)pyrrolidine-2,4-dione (CAS 1536808-84-0)
- 1-(3,4-Dichlorophenyl)pyrrolidine-2,5-dione (CAS 15386-58-0)
- (5-(2,4-Dichlorophenyl)oxazol-4-yl)methanol (CAS 957062-73-6)
- 1-(2,3-Dichlorophenyl)pyrrolidine-2,5-dione (CAS 37010-36-9)
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- [1-(2,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methanol (CAS 1248381-95-4)
- (1-(3,5-Dichlorophenyl)-1H-1,2,3-triazol-4-yl)methanol (CAS 1249158-71-1)
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