4-(4-Chlorophenyl)-1-(3,4-dimethoxyphenethyl)-2-methyl-1H-pyrrole-3-carboxylic acid CAS 881041-71-0
| CAS No. | 881041-71-0 |
| Molecular Formula | C22H22ClNO4 |
| Molecular Weight | 399.87 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.
CATO supplies 4-(4-Chlorophenyl)-1-(3,4-dimethoxyphenethyl)-2-methyl-1H-pyrrole-3-carboxylic acid (CAS 881041-71-0), a certified reference material (molecular formula C22H22ClNO4, MW 399.87 g/mol) for analytical method development and quality control.
Based on its molecular formula C22H22ClNO4, 4-(4-Chlorophenyl)-1-(3,4-dimethoxyphenethyl)-2-methyl-1H-pyrrole-3-carboxylic acid contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 399.87 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
Physical & Chemical Properties
| Molecular Formula | C22H22ClNO4 |
| Molecular Weight | 399.87 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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 | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chlorophenyl Standards
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- Semaglutide impurity 247 (CAS CATO-C4X-2226247)
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