1-(4-Bromo-1H-pyrazol-1-yl)-2-chloroethan-1-one CAS 514217-70-0
| CAS No. | 514217-70-0 |
| Molecular Formula | C5H4BrClN2O |
| Molecular Weight | 223.46 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(4-Bromo-1H-pyrazol-1-yl)-2-chloroethan-1-one (CAS 514217-70-0), molecular formula C5H4BrClN2O and molecular weight 223.46 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1-(4-Bromo-1H-pyrazol-1-yl)-2-chloroethan-1-one (C5H4BrClN2O) is characterized by an amide group, a hydroxyl group, an ether linkage, chlorine/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.
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.
As a certified reference material (CRM), 1-(4-Bromo-1H-pyrazol-1-yl)-2-chloroethan-1-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C5H4BrClN2O |
| Molecular Weight | 223.46 g/mol |
| Appearance | Off-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) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CAS 1416714-53-8)
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- Aficamten-D₃ (CAS CATO-C4X-34801)
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- 2-(2,5-Dimethylphenyl)-7,8-dimethylquinoline-4-carbonyl chloride (CAS 1160261-26-6)
- N-(2-Cyano-3-methylbutan-2-yl)-2-((4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 790288-46-9)
- Semaglutide impurity 83 (CAS CATO-C4X-222683)
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