4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile CAS 2546-63-6
| CAS No. | 2546-63-6 |
| Molecular Formula | C5H3F6NO |
| Molecular Weight | 207.07 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 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile (CAS 2546-63-6), a certified reference material (molecular formula C5H3F6NO, MW 207.07 g/mol) for analytical method development and quality control.
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile (C5H3F6NO) contains an amide group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C5H3F6NO |
| Molecular Weight | 207.07 g/mol |
| 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 | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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