5-Benzyl-7-chloro-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one CAS 341967-90-6
| CAS No. | 341967-90-6 |
| Molecular Formula | C16H14ClNOS |
| Molecular Weight | 303.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 5-Benzyl-7-chloro-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one (C16H14ClNOS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, 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 303.81 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.
CATO supplies 5-Benzyl-7-chloro-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one (CAS 341967-90-6), a certified reference material (molecular formula C16H14ClNOS, MW 303.81 g/mol) for analytical method development and quality control.
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.
As a certified reference material (CRM), 5-Benzyl-7-chloro-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 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 | C16H14ClNOS |
| Molecular Weight | 303.81 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 |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 2,2'-(Pyridine-2,6-diyl)bis(propan-2-ol) (CAS 100055-21-8)
- 5-(Benzothiazol-2-ylsulfanylmethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol (CAS 315702-40-0)
- 2,5-Dichloro-N-ethylbenzenesulfonamide (CAS 349090-85-3)
- 1-Methylisoquinoline-3-carboxylic acid (CAS 910123-62-5)
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- Semaglutide impurity 58 (CAS CATO-C4X-222658)
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