| CAS No. | 400074-47-7 |
| Molecular Formula | C18H12Cl2F3N3O |
| Molecular Weight | 414.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
CATO manufactures (2E)-3-[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-chloro-4-methylquinolin-3-yl)prop-2-en-1-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
(2E)-3-[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-chloro-4-methylquinolin-3-yl)prop-2-en-1-one (CAS 400074-47-7), molecular formula C18H12Cl2F3N3O and molecular weight 414.21 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of (2E)-3-[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-chloro-4-methylquinolin-3-yl)prop-2-en-1-one (C18H12Cl2F3N3O) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C18H12Cl2F3N3O |
| Molecular Weight | 414.21 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.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |