| CAS No. | 568596-69-0 |
| Molecular Formula | C18H18F2O7S |
| Molecular Weight | 416.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
CATO supplies Ethyl 2-(difluoromethyl)-5-hydroxy-6,10-dimethoxy-4,5-dihydro-2,5-methano[1,3]oxathiepino[6,7-f]benzofuran-4-carboxylate (CAS 568596-69-0), a certified reference material (molecular formula C18H18F2O7S, MW 416.39 g/mol) for analytical method development and quality control.
Ethyl 2-(difluoromethyl)-5-hydroxy-6,10-dimethoxy-4,5-dihydro-2,5-methano[1,3]oxathiepino[6,7-f]benzofuran-4-carboxylate (C18H18F2O7S) contains a flavonoid core, a sulfone group, a hydroxyl group, an ether linkage, fluorine 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.
As a certified reference material (CRM), Ethyl 2-(difluoromethyl)-5-hydroxy-6,10-dimethoxy-4,5-dihydro-2,5-methano[1,3]oxathiepino[6,7-f]benzofuran-4-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
| Molecular Formula | C18H18F2O7S |
| Molecular Weight | 416.39 g/mol |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |