3-Bromo-1-(difluoromethyl)-4-iodo-1H-pyrazole CAS 2739868-05-2
| CAS No. | 2739868-05-2 |
| Molecular Formula | C4H2BrF2IN2 |
| Molecular Weight | 322.88 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-1-(difluoromethyl)-4-iodo-1H-pyrazole (CAS 2739868-05-2) is a high-purity analytical reference standard with the molecular formula C4H2BrF2IN2 and a molecular weight of 322.88 g/mol.
3-Bromo-1-(difluoromethyl)-4-iodo-1H-pyrazole (C4H2BrF2IN2) contains a nitrile group, fluorine/bromine/iodine substitution. Halogen substitution raises its density and boiling point; 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 | C4H2BrF2IN2 |
| Molecular Weight | 322.88 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 |
| 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.) | 2002 |
| Halogen Content | F/Br/I-containing |
| Nitrogen Atoms | 2 |
Related Bromo Standards
- 4-Bromo-3-iodo-7-azaindole (CAS 1000340-34-0)
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