| CAS No. | 1245643-25-7 |
| Molecular Formula | C13H13BrFIN2 |
| Molecular Weight | 423.06 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 5-(2-Bromo-5-fluorophenyl)-1-(tert-butyl)-4-iodo-1H-pyrazole is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/bromine/iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-(2-Bromo-5-fluorophenyl)-1-(tert-butyl)-4-iodo-1H-pyrazole (CAS 1245643-25-7), molecular formula C13H13BrFIN2 and molecular weight 423.06 g/mol, is a CATO reference standard with documented purity and traceability.
5-(2-Bromo-5-fluorophenyl)-1-(tert-butyl)-4-iodo-1H-pyrazole (C13H13BrFIN2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/bromine/iodine 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
| Molecular Formula | C13H13BrFIN2 |
| Molecular Weight | 423.06 g/mol |
| Appearance | Off-white to pale 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F/Br/I-containing |
| Nitrogen Atoms | 2 |