3-Methyl-1-phenyl-1H-benzo[d]imidazol-3-iumiodide CAS 39778-14-8
| CAS No. | 39778-14-8 |
| Molecular Formula | C14H13N2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-Methyl-1-phenyl-1H-benzo[d]imidazol-3-iumiodide (CAS 39778-14-8), molecular formula C14H13N2I and molecular weight 336.17 g/mol, is a CATO reference standard with documented purity and traceability.
3-Methyl-1-phenyl-1H-benzo[d]imidazol-3-iumiodide (C14H13N2I) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, iodine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C14H13N2 I |
| Molecular Weight | 336.17 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1968 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 2 |
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