Methyl (E)-2-((4-((((4-chlorobenzyl)oxy)imino)methyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thio)benzoate CAS 318239-33-7
| CAS No. | 318239-33-7 |
| Molecular Formula | C21H17ClF3N3O3S |
| Molecular Weight | 483.89 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Methyl (E)-2-((4-((((4-chlorobenzyl)oxy)imino)methyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thio)benzoate (CAS 318239-33-7), molecular formula C21H17ClF3N3O3S and molecular weight 483.89 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C21H17ClF3N3O3S, Methyl (E)-2-((4-((((4-chlorobenzyl)oxy)imino)methyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thio)benzoate contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 483.89 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), Methyl (E)-2-((4-((((4-chlorobenzyl)oxy)imino)methyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thio)benzoate 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 | C21H17ClF3N3O3S |
| Molecular Weight | 483.89 g/mol |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
- (E)-[(5-{[(2-chlorophenyl)methyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methylidene]amino 4-methoxybenzoate (CAS 321553-41-7)
- N'-[2-(4-Chlorophenoxy)ethanimidoyl]-3-{[3-(trifluoromethyl)phenyl]methoxy}thiophene-2-carbohydrazide (CAS 400087-58-3)
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