1-(2-Bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid CAS 881041-31-2
| CAS No. | 881041-31-2 |
| Molecular Formula | C20H17BrFNO2 |
| Molecular Weight | 402.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-(2-Bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid.
1-(2-Bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid (CAS 881041-31-2) is a high-purity analytical reference standard with the molecular formula C20H17BrFNO2 and a molecular weight of 402.26 g/mol.
Based on its molecular formula C20H17BrFNO2, 1-(2-Bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 402.26 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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-(2-Bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid 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 | C20H17BrFNO2 |
| Molecular Weight | 402.26 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
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