5-Bromo-1-ethyl-3-(trifluoromethyl)-1H-pyrazole CAS 643759-53-9
| CAS No. | 643759-53-9 |
| Molecular Formula | C6H6BrF3N2 |
| Molecular Weight | 243.02 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
5-Bromo-1-ethyl-3-(trifluoromethyl)-1H-pyrazole (CAS 643759-53-9), molecular formula C6H6BrF3N2 and molecular weight 243.02 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-Bromo-1-ethyl-3-(trifluoromethyl)-1H-pyrazole (C6H6BrF3N2) contains a nitrile group, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 243.02 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C6H6BrF3N2 |
| Molecular Weight | 243.02 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.) | 1985 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
Related Bromo Standards
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Recommended Standards
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- 2-Iodo-5-(trifluoromethyl)-1,3,4-oxadiazole (CAS 1600360-28-8)
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- 4-Amino-2-methoxybenzenethiol (CAS 497855-25-1)
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