2-((3-Chlorobenzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one CAS 339101-41-6
| CAS No. | 339101-41-6 |
| Molecular Formula | C13H10ClF3N2OS |
| Molecular Weight | 334.74 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 334.74 g/mol gives 2-((3-Chlorobenzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-((3-Chlorobenzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 339101-41-6) is a high-purity analytical reference standard with the molecular formula C13H10ClF3N2OS and a molecular weight of 334.74 g/mol.
2-((3-Chlorobenzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one (C13H10ClF3N2OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
CATO manufactures 2-((3-Chlorobenzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H10ClF3N2OS |
| Molecular Weight | 334.74 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) | 8.0 |
| 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 |
Related Chlorobenzyl Standards
- 2-((4-Chlorobenzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 339101-38-1)
- 5-((2-Chlorobenzyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde (CAS 321533-90-8)
- 5-((4-Chlorobenzyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde (CAS 321553-32-6)
- N-(2-chlorobenzyl)-2-methyl-4-(trifluoromethyl)thiazole-5-carboxamide (CAS 338793-21-8)
- 1-((3-Chlorobenzyl)oxy)-2-phenyl-1H-benzo[d]imidazole (CAS 338791-18-7)
- 1-((4-Chlorobenzyl)oxy)-2-phenyl-1H-benzo[d]imidazole (CAS 338786-83-7)
- 6-(4-Chlorobenzyl)-1-ethyl-3-methyl-5-thioxo-1,4,5,6-tetrahydro-7H-pyrazolo[4,3-d]pyrimidin-7-one (CAS 1031606-41-3)
- 3-((2-Chlorobenzyl)thio)-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one (CAS 891127-07-4)
Recommended Standards
- (E)-2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-2-(thiophen-2-yl)acetaldehyde O-methyl oxime (CAS 338770-60-8)
- N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CAS 1209700-14-0)
- 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(thiophen-2-yl)methyl]acetamide (CAS 477850-27-4)
- (E)-N'-[(2-Chloro-4-fluorophenyl)methoxy]-N-(3-cyano-4-methoxypyridin-2-yl)methanimidamide (CAS 339102-55-5)
- 4,7-diazatricyclo[7.5.0.0²,⁷]tetradeca-1,8-dien-3-one (CAS 2180068-12-4)
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Why CATO?
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