| CAS No. | 955962-81-9 |
| Molecular Formula | C18H13F6N5O |
| Molecular Weight | 429.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 3-{2-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-3-yl}-1-(4-methylphenyl)urea is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-{2-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-3-yl}-1-(4-methylphenyl)urea (CAS 955962-81-9) is a high-purity analytical reference standard with the molecular formula C18H13F6N5O and a molecular weight of 429.32 g/mol.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 3-{2-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-3-yl}-1-(4-methylphenyl)urea is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 429.32 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 3-{2-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-3-yl}-1-(4-methylphenyl)urea 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 | C18H13F6N5O |
| Molecular Weight | 429.32 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |