Methyl 5-chloro-1-phenyl-4-[(1E)-{[(E)-3-(trifluoromethyl)benzoyloxy]imino}methyl]-1H-pyrazole-3-carboxylate CAS 321526-32-3
| CAS No. | 321526-32-3 |
| Molecular Formula | C20H13ClF3N3O4 |
| Molecular Weight | 451.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Methyl 5-chloro-1-phenyl-4-[(1E)-{[(E)-3-(trifluoromethyl)benzoyloxy]imino}methyl]-1H-pyrazole-3-carboxylate (CAS 321526-32-3) is a high-purity analytical reference standard with the molecular formula C20H13ClF3N3O4 and a molecular weight of 451.78 g/mol.
Structurally, Methyl 5-chloro-1-phenyl-4-[(1E)-{[(E)-3-(trifluoromethyl)benzoyloxy]imino}methyl]-1H-pyrazole-3-carboxylate (C20H13ClF3N3O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 451.78 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
As a certified reference material (CRM), Methyl 5-chloro-1-phenyl-4-[(1E)-{[(E)-3-(trifluoromethyl)benzoyloxy]imino}methyl]-1H-pyrazole-3-carboxylate 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.
Physical & Chemical Properties
| Molecular Formula | C20H13ClF3N3O4 |
| Molecular Weight | 451.78 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
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