(E)-[(3-Nitrophenyl)methylidene]amino 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate CAS 303987-14-6
| CAS No. | 303987-14-6 |
| Molecular Formula | C18H11ClFN3O5 |
| Molecular Weight | 403.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(E)-[(3-Nitrophenyl)methylidene]amino 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CAS 303987-14-6) is a high-purity analytical reference standard with the molecular formula C18H11ClFN3O5 and a molecular weight of 403.75 g/mol.
Based on its molecular formula C18H11ClFN3O5, (E)-[(3-Nitrophenyl)methylidene]amino 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 403.75 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
Physical & Chemical Properties
| Molecular Formula | C18H11ClFN3O5 |
| Molecular Weight | 403.75 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
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