| CAS No. | 339103-53-6 |
| Molecular Formula | C22H13BrF3NS |
| Molecular Weight | 460.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 460.31 g/mol gives 2-[(4-Bromophenyl)sulfanyl]-3-[3-(trifluoromethyl)phenyl]quinoline distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-[(4-Bromophenyl)sulfanyl]-3-[3-(trifluoromethyl)phenyl]quinoline (CAS 339103-53-6) is a high-purity analytical reference standard with the molecular formula C22H13BrF3NS and a molecular weight of 460.31 g/mol.
Structurally, 2-[(4-Bromophenyl)sulfanyl]-3-[3-(trifluoromethyl)phenyl]quinoline (C22H13BrF3NS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 460.31 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C22H13BrF3NS |
| Molecular Weight | 460.31 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 | F/Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |