Di-tert-butyl (8-bromo-6-fluoroisoquinolin-3-yl)iminodicarbonate CAS 2842053-26-1
| CAS No. | 2842053-26-1 |
| Molecular Formula | C19H22BrFN2O4 |
| Molecular Weight | 441.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Di-tert-butyl (8-bromo-6-fluoroisoquinolin-3-yl)iminodicarbonate (CAS 2842053-26-1), molecular formula C19H22BrFN2O4 and molecular weight 441.29 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C19H22BrFN2O4, Di-tert-butyl (8-bromo-6-fluoroisoquinolin-3-yl)iminodicarbonate contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 441.29 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C19H22BrFN2O4 |
| Molecular Weight | 441.29 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2003 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
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