3-cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride CAS 217816-42-7
| CAS No. | 217816-42-7 |
| Molecular Formula | C14H10F3N2 |
| 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.
3-cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride (CAS 217816-42-7) is a high-purity analytical reference standard with the molecular formula C14H10F3N2Cl and a molecular weight of 298.69 g/mol.
Structurally, 3-cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride (C14H10F3N2Cl) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 298.69 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C14H10F3N2 Cl |
| Molecular Weight | 298.69 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, 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2019 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
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- Phosphabenzene (CAS 289-68-9)
- ((3-Formyl-1H-indol-4-yl)thio)methyl acetate (CAS 113461-97-5)
- Copper Peptide ·2 acetate salt (CAS 130120-57-9)
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