Ethyl N-[4-(chloromethyl)-2-oxo-2H-1-benzopyran-7-yl]carbamate CAS 147963-30-2
| CAS No. | 147963-30-2 |
| Molecular Formula | C13H12ClNO4 |
| Molecular Weight | 281.69 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl N-[4-(chloromethyl)-2-oxo-2H-1-benzopyran-7-yl]carbamate (CAS 147963-30-2) is a high-purity analytical reference standard with the molecular formula C13H12ClNO4 and a molecular weight of 281.69 g/mol.
Ethyl N-[4-(chloromethyl)-2-oxo-2H-1-benzopyran-7-yl]carbamate (C13H12ClNO4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, 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.
As a certified reference material (CRM), Ethyl N-[4-(chloromethyl)-2-oxo-2H-1-benzopyran-7-yl]carbamate 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.
Physical & Chemical Properties
| Molecular Formula | C13H12ClNO4 |
| Molecular Weight | 281.69 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1999 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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