(3E)-3-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1-benzopyran-4-one CAS 796862-19-6
| CAS No. | 796862-19-6 |
| Molecular Formula | C17H11F3O2 |
| Molecular Weight | 304.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (3E)-3-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1-benzopyran-4-one.
(3E)-3-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1-benzopyran-4-one (CAS 796862-19-6), molecular formula C17H11F3O2 and molecular weight 304.26 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, a hydroxyl group, an ether linkage, fluorine substitution, (3E)-3-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1-benzopyran-4-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 304.26 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C17H11F3O2 |
| Molecular Weight | 304.26 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F-containing |
Related E Standards
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