4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyridin-1-ium iodide CAS 870556-29-9
| CAS No. | 870556-29-9 |
| Molecular Formula | C11H17BNO2 |
| Molecular Weight | N/A |
| 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.
4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyridin-1-ium iodide (CAS 870556-29-9), molecular formula C11H17BNO2I and molecular weight 332.97 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyridin-1-ium iodide (C11H17BNO2I) is characterized by an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, iodine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
Physical & Chemical Properties
| Molecular Formula | C11H17BNO2 I |
| Molecular Weight | 332.97 g/mol |
| Appearance | 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) | 3.5 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 1 |
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