3-Allyl-2-((2-chloro-6-fluorobenzyl)thio)-6-(trifluoromethyl)pyrimidin-4(3H)-one CAS 866143-19-3
| CAS No. | 866143-19-3 |
| Molecular Formula | C15H11ClF4N2OS |
| Molecular Weight | 378.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-Allyl-2-((2-chloro-6-fluorobenzyl)thio)-6-(trifluoromethyl)pyrimidin-4(3H)-one.
3-Allyl-2-((2-chloro-6-fluorobenzyl)thio)-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 866143-19-3), molecular formula C15H11ClF4N2OS and molecular weight 378.77 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C15H11ClF4N2OS, 3-Allyl-2-((2-chloro-6-fluorobenzyl)thio)-6-(trifluoromethyl)pyrimidin-4(3H)-one contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 378.77 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
Physical & Chemical Properties
| Molecular Formula | C15H11ClF4N2OS |
| Molecular Weight | 378.77 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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