tert-Butyl 3-(bromomethyl)-1H-indole-1-carboxylate CAS 96551-21-2
| CAS No. | 96551-21-2 |
| Molecular Formula | C14H16BrNO2 |
| Molecular Weight | 310.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
tert-Butyl 3-(bromomethyl)-1H-indole-1-carboxylate (C14H16BrNO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. 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 aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
tert-Butyl 3-(bromomethyl)-1H-indole-1-carboxylate (CAS 96551-21-2), molecular formula C14H16BrNO2 and molecular weight 310.19 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C14H16BrNO2 |
| Molecular Weight | 310.19 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- N-Boc-3-bromo-2-methylindole (CAS 775305-12-9)
- tert-Butyl 3-bromo-6-methyl-1H-indole-1-carboxylate (CAS 914349-34-1)
- N-(6-Bromohexyl)phthalimide (CAS 24566-79-8)
- Tert-butyl 3-bromo-7-methyl-1H-indole-1-carboxylate (CAS 914349-39-6)
- Ethyl 4-aminopiperazine-1-carboxylate hydrochloride (CAS 84442-57-9)
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