| CAS No. | 444156-97-2 |
| Molecular Formula | C28H22Cl2N2O2S |
| Molecular Weight | 521.46 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 521.46 g/mol gives 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile (CAS 444156-97-2), molecular formula C28H22Cl2N2O2S and molecular weight 521.46 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 521.46 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
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.
| Molecular Formula | C28H22Cl2N2O2S |
| Molecular Weight | 521.46 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |