6-Chloro-5-fluoro-2-(methylthio)pyrimidin-4(3H)-one CAS 1934640-63-7
| CAS No. | 1934640-63-7 |
| Molecular Formula | C5H4ClFN2OS |
| Molecular Weight | 194.61 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 6-Chloro-5-fluoro-2-(methylthio)pyrimidin-4(3H)-one is closely related to an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
6-Chloro-5-fluoro-2-(methylthio)pyrimidin-4(3H)-one (CAS 1934640-63-7), molecular formula C5H4ClFN2OS and molecular weight 194.61 g/mol, is a CATO reference standard with documented purity and traceability.
6-Chloro-5-fluoro-2-(methylthio)pyrimidin-4(3H)-one (C5H4ClFN2OS) contains an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C5H4ClFN2OS |
| Molecular Weight | 194.61 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1996 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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