Methyl 2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-9-carboxylate hydrochloride CAS 2126178-86-5
| CAS No. | 2126178-86-5 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | N/A |
| 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 2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-9-carboxylate hydrochloride.
Methyl 2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-9-carboxylate hydrochloride (CAS 2126178-86-5), molecular formula C11H13NO3HCl and molecular weight 243.69 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C11H13NO3HCl, Methyl 2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-9-carboxylate hydrochloride contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 243.69 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.
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), Methyl 2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-9-carboxylate hydrochloride 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 | C11H13NO3 HCl |
| Molecular Weight | 243.69 g/mol |
| Appearance | Off-white to pale 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- Methyl 2-amino-2-(3-bromophenyl)propanoate hydrochloride (CAS 2138131-80-1)
- Ethyl (S)-(-)-4,5-epoxypentanoate (CAS 128969-94-8)
- 3-Furancarboxylic acid, 5-cyclohexyl-2-methyl- (CAS 939377-18-1)
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