2-{[3,5-di(trifluoromethyl)anilino]methylidene}-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione CAS 649578-87-0
| CAS No. | 649578-87-0 |
| Molecular Formula | C17H8F9NO2S |
| Molecular Weight | 461.30 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.
CATO supplies 2-{[3,5-di(trifluoromethyl)anilino]methylidene}-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione (CAS 649578-87-0), a certified reference material (molecular formula C17H8F9NO2S, MW 461.30 g/mol) for analytical method development and quality control.
Structurally, 2-{[3,5-di(trifluoromethyl)anilino]methylidene}-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione (C17H8F9NO2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 461.30 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 2-{[3,5-di(trifluoromethyl)anilino]methylidene}-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione 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 | C17H8F9NO2S |
| Molecular Weight | 461.30 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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