2-(tert-butyl)-1,3-dimethyl-3H-benzo[d]imidazol-1-ium tetrafluoroborate CAS 649550-15-2
| CAS No. | 649550-15-2 |
| Molecular Formula | C13H19N2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-(tert-butyl)-1,3-dimethyl-3H-benzo[d]imidazol-1-ium tetrafluoroborate is closely related to a nitrile group, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-(tert-butyl)-1,3-dimethyl-3H-benzo[d]imidazol-1-ium tetrafluoroborate (CAS 649550-15-2), molecular formula C13H19N2BF4 and molecular weight 290.11 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrile group, fluorine substitution, 2-(tert-butyl)-1,3-dimethyl-3H-benzo[d]imidazol-1-ium tetrafluoroborate is typically white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 290.11 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C13H19N2 BF4 |
| Molecular Weight | 290.11 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 3.5 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
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