2-(5-Bromothiophen-2-yl)-2-oxoethyl 2-(methylthio)nicotinate CAS 380162-46-9
| CAS No. | 380162-46-9 |
| Molecular Formula | C13H10BrNO3S2 |
| Molecular Weight | 372.26 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.
2-(5-Bromothiophen-2-yl)-2-oxoethyl 2-(methylthio)nicotinate (CAS 380162-46-9), molecular formula C13H10BrNO3S2 and molecular weight 372.26 g/mol, is a CATO reference standard with documented purity and traceability.
2-(5-Bromothiophen-2-yl)-2-oxoethyl 2-(methylthio)nicotinate (C13H10BrNO3S2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C13H10BrNO3S2 |
| Molecular Weight | 372.26 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 2-((Methylsulfonyl)methyl)nicotinic acid (CAS 1691896-14-6)
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- Ethyl 5-bromo-4-chloro-2-hydroxy-3-methylbenzoate (CAS 329695-45-6)
- N-(4-Formylbenzyl)-N,N-dimethyldodecan-1-aminium chloride (CAS 70579-05-4)
- Semaglutide Impurity 190 (CAS CATO-C4X-2226190)
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