5-(tert-Butyl)-3-(trifluoromethyl)-1H-pyrazole CAS 150433-22-0
| CAS No. | 150433-22-0 |
| Molecular Formula | C8H11F3N2 |
| Molecular Weight | 192.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 192.18 g/mol gives 5-(tert-Butyl)-3-(trifluoromethyl)-1H-pyrazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-(tert-Butyl)-3-(trifluoromethyl)-1H-pyrazole (CAS 150433-22-0), molecular formula C8H11F3N2 and molecular weight 192.18 g/mol, is a CATO reference standard with documented purity and traceability.
5-(tert-Butyl)-3-(trifluoromethyl)-1H-pyrazole (C8H11F3N2) contains a nitrile group, fluorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C8H11F3N2 |
| Molecular Weight | 192.18 g/mol |
| Appearance | 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 DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1999 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
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