1-(2-((2,6-Dichlorobenzyl)thio)ethyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid CAS 306936-26-5
| CAS No. | 306936-26-5 |
| Molecular Formula | C21H19Cl2NO2S |
| Molecular Weight | 420.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(2-((2,6-Dichlorobenzyl)thio)ethyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid (CAS 306936-26-5) is a high-purity analytical reference standard with the molecular formula C21H19Cl2NO2S and a molecular weight of 420.35 g/mol.
Based on its molecular formula C21H19Cl2NO2S, 1-(2-((2,6-Dichlorobenzyl)thio)ethyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 420.35 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.
As a certified reference material (CRM), 1-(2-((2,6-Dichlorobenzyl)thio)ethyl)-2-methyl-5-phenyl-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 | C21H19Cl2NO2S |
| Molecular Weight | 420.35 g/mol |
| 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.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Dichlorobenzyl Standards
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