8-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one CAS 3158-80-3
| CAS No. | 3158-80-3 |
| Molecular Formula | C13H8ClNOS |
| Molecular Weight | 261.73 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
8-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one (CAS 3158-80-3) is a high-purity analytical reference standard with the molecular formula C13H8ClNOS and a molecular weight of 261.73 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution, 8-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one is typically pale yellow to yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 261.73 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
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 | C13H8ClNOS |
| Molecular Weight | 261.73 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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.) | 1957 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Chlorodibenzo Standards
- 2-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one (CAS 3159-04-4)
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- 1-Chlorodibenzo[b,f]thiepin-10(11H)-one (CAS 13420-86-5)
- 8-Chlorodibenzo[b,f]thiepin-10(11H)-one (CAS 1469-28-9)
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- 2-Chlorodibenzo[f,h]quinoxaline (CAS 1202564-31-5)
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