7-Chloro-4-(4-(methylthio)phenyl)-4,5-dihydrobenzo[f][1,4]oxazepin-3(2H)-one CAS 1396767-49-9
| CAS No. | 1396767-49-9 |
| Molecular Formula | C16H14ClNO2S |
| Molecular Weight | 319.81 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.
7-Chloro-4-(4-(methylthio)phenyl)-4,5-dihydrobenzo[f][1,4]oxazepin-3(2H)-one (CAS 1396767-49-9), molecular formula C16H14ClNO2S and molecular weight 319.81 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 7-Chloro-4-(4-(methylthio)phenyl)-4,5-dihydrobenzo[f][1,4]oxazepin-3(2H)-one (C16H14ClNO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 319.81 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C16H14ClNO2S |
| Molecular Weight | 319.81 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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