| CAS No. | 339101-97-2 |
| Molecular Formula | C18H12ClF3N2S |
| Molecular Weight | 380.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 380.81 g/mol gives 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine (CAS 339101-97-2), a certified reference material (molecular formula C18H12ClF3N2S, MW 380.81 g/mol) for analytical method development and quality control.
Based on its molecular formula C18H12ClF3N2S, 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 380.81 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C18H12ClF3N2S |
| Molecular Weight | 380.81 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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 | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |