Methyl (E)-2-(7-chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-ylidene)acetate CAS 1256633-11-0
| CAS No. | 1256633-11-0 |
| Molecular Formula | C11H8ClNO4 |
| Molecular Weight | 253.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Methyl (E)-2-(7-chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-ylidene)acetate.
Methyl (E)-2-(7-chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-ylidene)acetate (CAS 1256633-11-0), molecular formula C11H8ClNO4 and molecular weight 253.64 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl (E)-2-(7-chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-ylidene)acetate (C11H8ClNO4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 253.64 g/mol, it falls into the medium-molecular-weight range. 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.
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.
Physical & Chemical Properties
| Molecular Formula | C11H8ClNO4 |
| Molecular Weight | 253.64 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, ethanol, DMSO |
| 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.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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