| CAS No. | 339276-02-7 |
| Molecular Formula | C18H13BrCl2N2OS2 |
| Molecular Weight | 488.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
CATO supplies 4-[(4-Bromophenyl)sulfanyl]-2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methoxypyrimidine (CAS 339276-02-7), a certified reference material (molecular formula C18H13BrCl2N2OS2, MW 488.25 g/mol) for analytical method development and quality control.
Based on its molecular formula C18H13BrCl2N2OS2, 4-[(4-Bromophenyl)sulfanyl]-2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methoxypyrimidine contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 488.25 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C18H13BrCl2N2OS2 |
| Molecular Weight | 488.25 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |