(5-Amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl)(4-bromophenyl)methanone CAS 618091-40-0
| CAS No. | 618091-40-0 |
| Molecular Formula | C16H11BrFN3O |
| Molecular Weight | 360.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(5-Amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl)(4-bromophenyl)methanone (CAS 618091-40-0), molecular formula C16H11BrFN3O and molecular weight 360.18 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (5-Amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl)(4-bromophenyl)methanone (C16H11BrFN3O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 360.18 g/mol, it falls into the moderately-high-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.
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 | C16H11BrFN3O |
| Molecular Weight | 360.18 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 3 |
Related Amino Standards
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Recommended Standards
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