1,3-Bis((S)-1-phenylethyl)-1H-imidazol-3-ium tetrafluoroborate CAS 613686-48-9
| CAS No. | 613686-48-9 |
| Molecular Formula | C19H21N2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
1,3-Bis((S)-1-phenylethyl)-1H-imidazol-3-ium tetrafluoroborate (CAS 613686-48-9), molecular formula C19H21N2BF4 and molecular weight 364.19 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1,3-Bis((S)-1-phenylethyl)-1H-imidazol-3-ium tetrafluoroborate (C19H21N2BF4) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine 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.
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 | C19H21N2 BF4 |
| Molecular Weight | 364.19 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
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