| CAS No. | 477713-91-0 |
| Molecular Formula | C22H14BrCl3N4O |
| Molecular Weight | 536.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
1-(4-Bromophenyl)-3-(5-phenyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl)urea (CAS 477713-91-0), molecular formula C22H14BrCl3N4O and molecular weight 536.64 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1-(4-Bromophenyl)-3-(5-phenyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl)urea (C22H14BrCl3N4O) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
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.
| Molecular Formula | C22H14BrCl3N4O |
| Molecular Weight | 536.64 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 4 |