Ethyl 2-amino-4-(3-chloro-4-nitrophenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carboxylate CAS 939889-07-3
| CAS No. | 939889-07-3 |
| Molecular Formula | C21H15ClN2O6S |
| Molecular Weight | 458.87 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 458.87 g/mol gives Ethyl 2-amino-4-(3-chloro-4-nitrophenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies Ethyl 2-amino-4-(3-chloro-4-nitrophenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carboxylate (CAS 939889-07-3), a certified reference material (molecular formula C21H15ClN2O6S, MW 458.87 g/mol) for analytical method development and quality control.
Structurally, Ethyl 2-amino-4-(3-chloro-4-nitrophenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carboxylate (C21H15ClN2O6S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 458.87 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), Ethyl 2-amino-4-(3-chloro-4-nitrophenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-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.
Physical & Chemical Properties
| Molecular Formula | C21H15ClN2O6S |
| Molecular Weight | 458.87 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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