4-Chloro-3-ethyl-5-(trifluoromethyl)-1H-Pyrazole CAS 637022-66-3
| CAS No. | 637022-66-3 |
| Molecular Formula | C6H6ClF3N2 |
| Molecular Weight | 198.57 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-Chloro-3-ethyl-5-(trifluoromethyl)-1H-Pyrazole is closely related to a nitrile group, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-Chloro-3-ethyl-5-(trifluoromethyl)-1H-Pyrazole (CAS 637022-66-3) is a high-purity analytical reference standard with the molecular formula C6H6ClF3N2 and a molecular weight of 198.57 g/mol.
Based on its molecular formula C6H6ClF3N2, 4-Chloro-3-ethyl-5-(trifluoromethyl)-1H-Pyrazole contains a nitrile group, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 198.57 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C6H6ClF3N2 |
| Molecular Weight | 198.57 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.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Chloro Standards
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Recommended Standards
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