NIR-797-isothiocyanat CAS 152111-91-6
| CAS No. | 152111-91-6 |
| Molecular Formula | C45H50N3O6S4 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
NIR-797-isothiocyanat (CAS 152111-91-6), molecular formula C45H50N3O6S4Na and molecular weight 880.14 g/mol, is a CATO reference standard with documented purity and traceability.
NIR-797-isothiocyanat (C45H50N3O6S4Na) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C45H50N3O6S4 Na |
| Molecular Weight | 880.14 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 22.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2000 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 4 |
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- 3-(3,4-dimethoxyphenyl)butan-2-one (CAS 4156-24-5)
- 1-Boc-3-amino-3-cyanopyrrolidine (CAS 871115-54-7)
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- 3-Chloro-2,6-dimethylaniline hydrochloride (CAS 72725-98-5)
- Semaglutide impurity 206 (CAS CATO-C4X-2226206)
Why CATO?
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