1-[(4-Chlorophenyl)sulfanyl]-4-[(2,3-dimethylphenoxy)methyl]-2-nitrobenzene CAS 477869-52-6
| CAS No. | 477869-52-6 |
| Molecular Formula | C21H18ClNO3S |
| Molecular Weight | 399.89 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 1-[(4-Chlorophenyl)sulfanyl]-4-[(2,3-dimethylphenoxy)methyl]-2-nitrobenzene 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.
1-[(4-Chlorophenyl)sulfanyl]-4-[(2,3-dimethylphenoxy)methyl]-2-nitrobenzene (CAS 477869-52-6), molecular formula C21H18ClNO3S and molecular weight 399.89 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C21H18ClNO3S, 1-[(4-Chlorophenyl)sulfanyl]-4-[(2,3-dimethylphenoxy)methyl]-2-nitrobenzene 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 399.89 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C21H18ClNO3S |
| Molecular Weight | 399.89 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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