2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile CAS 444156-97-2

Purity 97%+In StockPharmaceutical Standards
CAS No.444156-97-2
Molecular FormulaC28H22Cl2N2O2S
Molecular Weight521.46 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile CAS 444156-97-2 chemical structure

Description

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.

Physical & Chemical Properties

Molecular FormulaC28H22Cl2N2O2S
Molecular Weight521.46 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay 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 AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms1

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