7-Chloro-5-(4-methylbenzyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one CAS 341967-89-3
| CAS No. | 341967-89-3 |
| Molecular Formula | C17H16ClNOS |
| Molecular Weight | 317.83 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-5-(4-methylbenzyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one (CAS 341967-89-3), molecular formula C17H16ClNOS and molecular weight 317.83 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution, 7-Chloro-5-(4-methylbenzyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 317.83 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
Physical & Chemical Properties
| Molecular Formula | C17H16ClNOS |
| Molecular Weight | 317.83 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 |
Related Chloro Standards
- 4-(3-Chloro-4-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide (CAS 691398-58-0)
- 7-Chloro-5-(2-methylbenzyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one (CAS 341968-15-8)
- 7-Chloro-5-[(3-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one (CAS 303987-50-0)
- 4-Chloro-5-methyl-N-(3-(4-methylpiperazin-1-yl)phenyl)pyrimidin-2-amine (CAS 1245646-20-1)
- 2-((4-Chloro-7-phenylthieno[3,2-d]pyrimidin-6-yl)thio)acetonitrile (CAS 860649-75-8)
- 4-Chloro-6-(4-(2,3-dimethylphenyl)piperazin-1-yl)pyrimidin-2-amine (CAS 339016-04-5)
- 4-Chloro-6-[4-(2,6-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine (CAS 866018-28-2)
- 5-Chloro-N-(2-phenoxyethyl)thiophene-2-sulfonamide (CAS 1022432-83-2)
Recommended Standards
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- 5-(4-Chlorobenzyl)-7-methyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one (CAS 478246-68-3)
- tert-Butyl 4-((2-chlorothiazol-5-yl)methyl)piperazine-1-carboxylate (CAS 939986-53-5)
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- 2-(7-Ethyl-4-methylquinazolin-2-yl)guanidine (CAS 503831-80-9)
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