1-(6-Bromo-5-chloro-3-(pyridin-2-yl)-1H-indol-2-yl)-2-(methylsulfinyl)ethanone CAS 75696-17-2
| CAS No. | 75696-17-2 |
| Molecular Formula | C16H12BrClN2O2S |
| Molecular Weight | 411.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-(6-Bromo-5-chloro-3-(pyridin-2-yl)-1H-indol-2-yl)-2-(methylsulfinyl)ethanone (CAS 75696-17-2) is a high-purity analytical reference standard with the molecular formula C16H12BrClN2O2S and a molecular weight of 411.70 g/mol.
Based on its molecular formula C16H12BrClN2O2S, 1-(6-Bromo-5-chloro-3-(pyridin-2-yl)-1H-indol-2-yl)-2-(methylsulfinyl)ethanone contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 411.70 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
Physical & Chemical Properties
| Molecular Formula | C16H12BrClN2O2S |
| Molecular Weight | 411.70 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1978 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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