4-(Chloromethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole CAS 1222556-79-7
| CAS No. | 1222556-79-7 |
| Molecular Formula | C6H6ClF3N2 |
| Molecular Weight | 198.57 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 4-(Chloromethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
4-(Chloromethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole (CAS 1222556-79-7) 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-(Chloromethyl)-1-methyl-3-(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.
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.) | 1990 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Chloromethyl Standards
- 1-(Chloromethyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole (CAS 1006356-44-0)
- 3-(chloromethyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole (CAS 1260658-92-1)
- 3-(Chloromethyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole (CAS 1260658-95-4)
- 5-(Chloromethyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole (CAS 1281984-44-8)
- 2-(Chloromethyl)-1-(2,2,2-trifluoroethyl)-1h-imidazole hydrochloride (CAS 135206-93-8)
- 5-(Chloromethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole (CAS 184358-63-2)
- 4-(Chloromethyl)-1-(2,2,2-trifluoroethyl)-1h-pyrazole (CAS 405103-71-1)
- 1-(Chloromethyl)-2,3,4,5-tetrafluorobenzene (CAS 21622-18-4)
Recommended Standards
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