4,4,4-trifluoro-3-hydroxybutanenitrile CAS 57165-85-2
| CAS No. | 57165-85-2 |
| Molecular Formula | C4H4F3NO |
| Molecular Weight | 139.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4,4,4-trifluoro-3-hydroxybutanenitrile (CAS 57165-85-2), molecular formula C4H4F3NO and molecular weight 139.08 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 4,4,4-trifluoro-3-hydroxybutanenitrile is typically white to off-white liquid. Its solid-state physicochemical attributes — including a molecular weight of 139.08 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C4H4F3NO |
| Molecular Weight | 139.08 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.) | 1973 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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