| CAS No. | 400079-63-2 |
| Molecular Formula | C21H12BrCl2NS |
| Molecular Weight | 461.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
| Molecular Formula | C21H12BrCl2NS |
| Molecular Weight | 461.20 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |