| CAS No. | 824409-64-5 |
| Molecular Formula | C12H12F3N3 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 4-Piperazin-1-yl-2-trifluoromethyl-benzonitrile hydrochloride is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-Piperazin-1-yl-2-trifluoromethyl-benzonitrile hydrochloride (CAS 824409-64-5), molecular formula C12H12F3N3HCl and molecular weight 291.70 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-Piperazin-1-yl-2-trifluoromethyl-benzonitrile hydrochloride (C12H12F3N3HCl) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine 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. 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.
As a certified reference material (CRM), 4-Piperazin-1-yl-2-trifluoromethyl-benzonitrile hydrochloride meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
| Molecular Formula | C12H12F3N3 HCl |
| Molecular Weight | 291.70 g/mol |
| Appearance | Off-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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |