3-Bromo-7-(chlorodifluoromethyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine CAS 439097-20-8
| CAS No. | 439097-20-8 |
| Molecular Formula | C15H8BrClF5N3 |
| Molecular Weight | 440.59 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.
3-Bromo-7-(chlorodifluoromethyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (CAS 439097-20-8), molecular formula C15H8BrClF5N3 and molecular weight 440.59 g/mol, is a CATO reference standard with documented purity and traceability.
3-Bromo-7-(chlorodifluoromethyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (C15H8BrClF5N3) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine/bromine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C15H8BrClF5N3 |
| Molecular Weight | 440.59 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl/Br-containing |
| Nitrogen Atoms | 3 |
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