3-[(4-Bromophenyl)sulfanyl]-2-(2,4-dichlorophenyl)quinoline CAS 400079-63-2

Purity 97%+In StockPharmaceutical Standards
CAS No.400079-63-2
Molecular FormulaC21H12BrCl2NS
Molecular Weight461.20 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-[(4-Bromophenyl)sulfanyl]-2-(2,4-dichlorophenyl)quinoline CAS 400079-63-2 chemical structure

Description

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.

CATO supplies 3-[(4-Bromophenyl)sulfanyl]-2-(2,4-dichlorophenyl)quinoline (CAS 400079-63-2), a certified reference material (molecular formula C21H12BrCl2NS, MW 461.20 g/mol) for analytical method development and quality control.

Based on its molecular formula C21H12BrCl2NS, 3-[(4-Bromophenyl)sulfanyl]-2-(2,4-dichlorophenyl)quinoline contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 461.20 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.

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 FormulaC21H12BrCl2NS
Molecular Weight461.20 g/mol
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)15.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl/Br-containing
Nitrogen Atoms1
Sulfur Atoms1

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