5-Bromo-4-chloro-1H-indol-3-yl (2-(trimethylammonio)ethyl) phosphate CAS 439809-43-5
| CAS No. | 439809-43-5 |
| Molecular Formula | C13H17BrClN2O4P |
| Molecular Weight | 411.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 411.62 g/mol gives 5-Bromo-4-chloro-1H-indol-3-yl (2-(trimethylammonio)ethyl) phosphate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-Bromo-4-chloro-1H-indol-3-yl (2-(trimethylammonio)ethyl) phosphate (CAS 439809-43-5) is a high-purity analytical reference standard with the molecular formula C13H17BrClN2O4P and a molecular weight of 411.62 g/mol.
Based on its molecular formula C13H17BrClN2O4P, 5-Bromo-4-chloro-1H-indol-3-yl (2-(trimethylammonio)ethyl) phosphate contains a nitrogen-containing heterocyclic scaffold, an amide group, a phosphate ester 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 411.62 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C13H17BrClN2O4P |
| Molecular Weight | 411.62 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) | 5.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 2 |
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