| CAS No. | 475626-49-4 |
| Molecular Formula | C13H9BrN4 |
| Molecular Weight | 301.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1H-pyrazole-4-carbonitrile is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-(4-Bromophenyl)-1-(2-cyanoethyl)-1H-pyrazole-4-carbonitrile (CAS 475626-49-4), molecular formula C13H9BrN4 and molecular weight 301.14 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C13H9BrN4, 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1H-pyrazole-4-carbonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 301.14 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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), 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1H-pyrazole-4-carbonitrile 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 | C13H9BrN4 |
| Molecular Weight | 301.14 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |