4-Bromo-5-(trifluoromethyl)-1H-pyrazole CAS 918339-68-1
| CAS No. | 918339-68-1 |
| Molecular Formula | C4H2BrF3N2 |
| Molecular Weight | 214.97 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-Bromo-5-(trifluoromethyl)-1H-pyrazole is closely related to a nitrile group, fluorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-Bromo-5-(trifluoromethyl)-1H-pyrazole (CAS 918339-68-1) is a high-purity analytical reference standard with the molecular formula C4H2BrF3N2 and a molecular weight of 214.97 g/mol.
4-Bromo-5-(trifluoromethyl)-1H-pyrazole (C4H2BrF3N2) contains a nitrile group, fluorine/bromine 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 | C4H2BrF3N2 |
| Molecular Weight | 214.97 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.) | 1987 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
Related Bromo Standards
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