| CAS No. | 69056-67-3 |
| Molecular Formula | C5H5F3O2 |
| Molecular Weight | 154.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
(E)-4,4,4-trifluoro-3-methylbut-2-enoic acid 3-(Trifluoromethyl)crotonic acid 69056-67-3 (CAS 69056-67-3) is a high-purity analytical reference standard with the molecular formula C5H5F3O2 and a molecular weight of 154.09 g/mol.
Structurally, (E)-4,4,4-trifluoro-3-methylbut-2-enoic acid 3-(Trifluoromethyl)crotonic acid 69056-67-3 (C5H5F3O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 154.09 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
| Molecular Formula | C5H5F3O2 |
| Molecular Weight | 154.09 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1976 |
| Halogen Content | F-containing |