5-Bromo-4-chloro-1H-indol-3-yl L-alaninate 2,2,2-trifluoroacetate CAS 207725-18-6
| CAS No. | 207725-18-6 |
| Molecular Formula | C11H10BrClN2O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-Bromo-4-chloro-1H-indol-3-yl L-alaninate 2,2,2-trifluoroacetate (CAS 207725-18-6), molecular formula C11H10BrClN2O2C2HF3O2 and molecular weight 431.59 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C11H10BrClN2O2C2HF3O2, 5-Bromo-4-chloro-1H-indol-3-yl L-alaninate 2,2,2-trifluoroacetate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 431.59 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.
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 | C11H10BrClN2O2 C2HF3O2 |
| Molecular Weight | 431.59 g/mol |
| Appearance | Off-white to pale 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2016 |
| Halogen Content | F/Cl/Br-containing |
| Nitrogen Atoms | 2 |
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- test-标液 (CAS CATO-test16)
- Semaglutide impurity 42 (CAS CATO-C4X-222642)
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