4-Bromo-1-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one CAS 1542813-56-8
| CAS No. | 1542813-56-8 |
| Molecular Formula | C5H4BrF3N2O |
| Molecular Weight | 245.00 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
4-Bromo-1-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one (CAS 1542813-56-8), molecular formula C5H4BrF3N2O and molecular weight 245.00 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-Bromo-1-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one (C5H4BrF3N2O) is characterized by an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C5H4BrF3N2O |
| Molecular Weight | 245.00 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.) | 1992 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
Related Bromo Standards
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