3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carbonitrile hydrochloride CAS 2116848-05-4
| CAS No. | 2116848-05-4 |
| Molecular Formula | C9H6N2OS |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carbonitrile hydrochloride is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carbonitrile hydrochloride (CAS 2116848-05-4), molecular formula C9H6N2OSHCl and molecular weight 226.68 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carbonitrile hydrochloride (C9H6N2OSHCl) 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 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 226.68 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C9H6N2OS HCl |
| Molecular Weight | 226.68 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Oxo Standards
- 3-(3,6-Dihydro-2h-pyran-4-yl)benzoic acid (CAS 1000016-95-4)
- 1,7-Dihydro-dipyrrolo[2,3-b:3',2'-e]pyridine (CAS 1000342-79-9)
- Methyl 9,10-Dihydro-9-oxoacridine-4-carboxylate (CAS 100039-03-0)
- 3-(3,4-Dihydro-2h-benzo[b][1,4]dioxepin-7-yl)propan-1-ol (CAS 1000540-71-5)
- 2,5-Dihydro-1-(2-nitrophenyl)-5-oxo-1H-1,2,4-triazole-3-carboxylic acid dimethylamide (CAS 1000574-24-2)
- 5-(1,2-Dihydro-[1,1':4',1''-terphenyl]-2-yl)-3H-1,2,4-triazol-3-one (CAS 1000575-71-2)
- Ethyl 2,5-dihydro-5-oxo-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylate (CAS 1000576-65-7)
- 2,5-Dihydro-5-oxo-1-phenyl-1H-1,2,4-triazole-3-carboxylic acid (2-chlorophenyl)amide (CAS 1000576-93-1)
Recommended Standards
- 1,2,3,4,5,6-Hexakis((4-isopropylphenoxy)methyl)benzene (CAS 72242-24-1)
- 2-(Aminomethyl)-4-chloro-5-(difluoromethyl)pyridine (CAS 1804755-92-7)
- 2-Phenethyltetrahydrofuran (CAS 2429-96-1)
- 7-Bromo-2-phenylimidazo[1,2-a]pyridine (CAS 1018814-40-8)
- N-Methylhydrazinecarboxamide Hydrochloride (CAS 4140-62-9)
- 7,7-Dimethylbicyclo[2.2.1]heptane-1-carboxylic acid (CAS 937-75-7)
- 2-Bromo-5-cyclopropylpyridine (CAS 1142197-14-5)
- 83587-75-1 Propionic acid-1,2-13C2 sodium salt Sodium propionate-1,2-13C2 (CAS 83587-75-1)
- Calcitonin (9-32) (free acid) (human) (CAS 762263-16-1)
- D-[Ser]8-Liraglutide (CAS CATO-C4X-199238)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com