| CAS No. | 400087-53-8 |
| Molecular Formula | C21H20Cl2O7 |
| Molecular Weight | 455.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
1,3-Diethyl 2-{2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-oxoethyl}-2-hydroxypropanedioate (CAS 400087-53-8), molecular formula C21H20Cl2O7 and molecular weight 455.29 g/mol, is a CATO reference standard with documented purity and traceability.
1,3-Diethyl 2-{2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-oxoethyl}-2-hydroxypropanedioate (C21H20Cl2O7) contains a flavonoid core, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
| Molecular Formula | C21H20Cl2O7 |
| Molecular Weight | 455.29 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |