| CAS No. | 318959-19-2 |
| Molecular Formula | C18H12BrCl2F3N2OS |
| Molecular Weight | 512.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
4-(((4-Bromophenyl)thio)methyl)-5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole (CAS 318959-19-2), molecular formula C18H12BrCl2F3N2OS and molecular weight 512.17 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine/bromine substitution, 4-(((4-Bromophenyl)thio)methyl)-5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 512.17 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
| Molecular Formula | C18H12BrCl2F3N2OS |
| Molecular Weight | 512.17 g/mol |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl/Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |