sodium 1,1,1-trifluoro-4-oxo-4-pyridin-2-ylbut-2-en-2-olate CAS 1006961-48-3
| CAS No. | 1006961-48-3 |
| Molecular Formula | C9H5F3NO2 |
| Molecular Weight | N/A |
| 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 sodium 1,1,1-trifluoro-4-oxo-4-pyridin-2-ylbut-2-en-2-olate.
sodium 1,1,1-trifluoro-4-oxo-4-pyridin-2-ylbut-2-en-2-olate (CAS 1006961-48-3) is a high-purity analytical reference standard with the molecular formula C9H5F3NO2Na and a molecular weight of 239.13 g/mol.
The molecular framework of sodium 1,1,1-trifluoro-4-oxo-4-pyridin-2-ylbut-2-en-2-olate (C9H5F3NO2Na) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C9H5F3NO2 Na |
| Molecular Weight | 239.13 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 6.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 4-(Chloromethyl)-1-(4-fluorophenyl)-1H-1,2,3-triazole (CAS 1250623-38-1)
- 2-(4-Bromo-5-fluoro-2-nitrophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene (CAS 2244083-59-6)
- Ethyl 4-oxo-4-(3,4,5-trifluorophenyl)butyrate (CAS 898752-49-3)
- 2-(2-Bromo-5-fluorophenyl)acetonitrile (CAS 886761-96-2)
- 5-Bromo-1-methylisoindoline hydrochloride (CAS 1849195-68-1)
- Ethyl 6-bromo-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate (CAS 1260763-32-3)
- Semaglutide impurity 69 (CAS CATO-C4X-222669)
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