7-Chloro-4-((4-chlorobenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine CAS 303987-74-8
| CAS No. | 303987-74-8 |
| Molecular Formula | C16H13Cl2NS2 |
| Molecular Weight | 354.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
7-Chloro-4-((4-chlorobenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine (CAS 303987-74-8) is a high-purity analytical reference standard with the molecular formula C16H13Cl2NS2 and a molecular weight of 354.32 g/mol.
The molecular framework of 7-Chloro-4-((4-chlorobenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine (C16H13Cl2NS2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 7-Chloro-4-((4-chlorobenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine 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 | C16H13Cl2NS2 |
| Molecular Weight | 354.32 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| 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 | 2 |
Related Chloro Standards
- 7-Chloro-4-((2-chlorobenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine (CAS 303987-58-8)
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