7-Chloro-4-((3-(trifluoromethyl)benzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine CAS 477855-80-4
| CAS No. | 477855-80-4 |
| Molecular Formula | C17H13ClF3NS2 |
| Molecular Weight | 387.87 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 7-Chloro-4-((3-(trifluoromethyl)benzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
7-Chloro-4-((3-(trifluoromethyl)benzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine (CAS 477855-80-4), molecular formula C17H13ClF3NS2 and molecular weight 387.87 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 7-Chloro-4-((3-(trifluoromethyl)benzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine (C17H13ClF3NS2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/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 387.87 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.
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.
CATO manufactures 7-Chloro-4-((3-(trifluoromethyl)benzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C17H13ClF3NS2 |
| Molecular Weight | 387.87 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 | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
Related Chloro Standards
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