1-Heptafluorobutyryl-3(5)-(perfluoro-1-hexyl)-5(3)-(trifluoromethyl)pyrazole CAS 959577-52-7
| CAS No. | 959577-52-7 |
| Molecular Formula | C14HF23N2O |
| Molecular Weight | 650.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C14HF23N2O, 1-Heptafluorobutyryl-3(5)-(perfluoro-1-hexyl)-5(3)-(trifluoromethyl)pyrazole contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 650.13 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
1-Heptafluorobutyryl-3(5)-(perfluoro-1-hexyl)-5(3)-(trifluoromethyl)pyrazole (CAS 959577-52-7) is a high-purity analytical reference standard with the molecular formula C14HF23N2O and a molecular weight of 650.13 g/mol.
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.
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 | C14HF23N2O |
| Molecular Weight | 650.13 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
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