Methyl 5-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-2-methyl-1H-pyrrole-3-carboxylate CAS 881041-72-1
| CAS No. | 881041-72-1 |
| Molecular Formula | C20H17BrClNO2 |
| Molecular Weight | 418.71 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.
Methyl 5-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-2-methyl-1H-pyrrole-3-carboxylate (CAS 881041-72-1), molecular formula C20H17BrClNO2 and molecular weight 418.71 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C20H17BrClNO2, Methyl 5-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-2-methyl-1H-pyrrole-3-carboxylate contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 418.71 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
Physical & Chemical Properties
| Molecular Formula | C20H17BrClNO2 |
| Molecular Weight | 418.71 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 | Cl/Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carbonyl chloride (CAS 1160253-13-3)
- 3-n-Heptylthiophene (CAS 65016-61-7)
- (E)-3-hydroxy-2-((thiazol-2-ylimino)methyl)-1H-inden-1-one (CAS 1024453-68-6)
- (3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl)methanol (CAS 618444-48-7)
- 1-Methylpyrrolidin-3-ol hydrochloride (CAS 876859-30-2)
- Azepan-1-ylbutanoic acid hydrochloride (CAS 54436-99-6)
- (R)-(-)-Fenfluramine Hydrochloride (CAS 3616-78-2)
- 1-(5-Methyl-1,3,4-oxadiazol-2-yl)cyclopropan-1-amine (CAS 1511571-69-9)
- 1-Amino-2-methyl-2-propanethiol hydrochloride (CAS 32047-53-3)
- (S)-2-Amino-N-(2-iodobenzyl)-N,3-dimethylbutanamide (CAS 1354020-53-3)
- Semaglutide impurity 331 (CAS CATO-C4X-2226231)
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