2-Chloro-4,5-difluoro-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone CAS 898757-35-2
| CAS No. | 898757-35-2 |
| Molecular Formula | C17H21ClF2O3 |
| Molecular Weight | 346.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-Chloro-4,5-difluoro-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone (CAS 898757-35-2), molecular formula C17H21ClF2O3 and molecular weight 346.80 g/mol, is a CATO reference standard with documented purity and traceability.
2-Chloro-4,5-difluoro-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone (C17H21ClF2O3) contains a steroid core, a hydroxyl group, an ether linkage, fluorine/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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C17H21ClF2O3 |
| Molecular Weight | 346.80 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
Related Chloro Standards
- 4-Chloro-2,5-difluoro-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone (CAS 898757-44-3)
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Recommended Standards
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- 2-Methoxy-4-methyl-5-(piperidin-2-yl)pyridine (CAS 1270425-33-6)
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- 5-Chloro-2-(piperidin-3-ylmethoxy)pyridine (CAS 1248481-95-9)
- 4-Chloro-N-methylaniline hydrochloride (CAS 30953-65-2)
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- Gefitinib Impurity 77 (CAS CATO-C4X-111777)
- Semaglutide Impurity 129 (CAS 2490269-79-7)
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