2-(3-Chloropropyl)-2-(4-fluorophenyl)-1,3-dioxane CAS 4497-36-3
| CAS No. | 4497-36-3 |
| Molecular Formula | C13H16ClFO2 |
| Molecular Weight | 258.72 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.
2-(3-Chloropropyl)-2-(4-fluorophenyl)-1,3-dioxane (CAS 4497-36-3) is a high-purity analytical reference standard with the molecular formula C13H16ClFO2 and a molecular weight of 258.72 g/mol.
The molecular framework of 2-(3-Chloropropyl)-2-(4-fluorophenyl)-1,3-dioxane (C13H16ClFO2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system. 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C13H16ClFO2 |
| Molecular Weight | 258.72 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | F/Cl-containing |
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- 1H,1H,2H,3H,3H-Perfluorononane-1,2-diol (CAS 107650-06-6)
- Fas C- Terminal Tripeptide (CAS 189109-90-8)
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