2-((3,4-Dichlorobenzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one CAS 344282-91-3
| CAS No. | 344282-91-3 |
| Molecular Formula | C13H9Cl2F3N2OS |
| Molecular Weight | 369.19 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 2-((3,4-Dichlorobenzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one.
2-((3,4-Dichlorobenzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 344282-91-3) is a high-purity analytical reference standard with the molecular formula C13H9Cl2F3N2OS and a molecular weight of 369.19 g/mol.
2-((3,4-Dichlorobenzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one (C13H9Cl2F3N2OS) 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C13H9Cl2F3N2OS |
| Molecular Weight | 369.19 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 Dichlorobenzyl Standards
- 2-((2,4-Dichlorobenzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 339101-49-4)
- Ethyl 4-((2,4-dichlorobenzyl)oxy)-3-ethoxybenzoate (CAS 1706453-10-2)
- 1-((2,4-Dichlorobenzyl)oxy)-2-phenyl-1H-benzo[d]imidazole (CAS 338786-95-1)
- 1-((2,6-Dichlorobenzyl)oxy)-2-phenyl-1H-benzo[d]imidazole (CAS 338786-87-1)
- 1-(2,6-Dichlorobenzyl)-2-oxo-5-(p-tolyl)-1,2-dihydropyridine-3-carbonitrile (CAS 338964-95-7)
- 2,4-Dichlorobenzyl 3-((dimethoxyphosphoryl)oxy)but-2-enoate (CAS 32425-90-4)
- 3-((2,4-Dichlorobenzyl)thio)-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one (CAS 891127-55-2)
- 5-((3,4-Dichlorobenzyl)thio)-N-phenyl-1,3,4-thiadiazol-2-amine (CAS 866041-98-7)
Recommended Standards
- 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-3-methyl-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one (CAS 339101-52-9)
- 1-[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenyl]piperidin-2-one (CAS 2223045-95-0)
- 2-Chloro-n-(5-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)acetamide (CAS 923906-57-4)
- Methyl (R)-2-[1-[(2-Amino-5-bromo-3-pyridyl)oxy]ethyl]-4-fluorobenzoate (CAS 1454848-00-0)
- 2-Fluoro-N-(pyridin-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CAS 1419221-32-1)
- 4-Aminopyrene (CAS 17075-03-5)
- (2R,3R,4S,5S,6S)-2-(Acetoxymethyl)-6-(2-aminoethoxy)tetrahydro-2h-pyran-3,4,5-triyl triacetate hydrochloride (CAS 1438262-33-9)
- 1-{2-bromo-5-methyl-[1,2,4]triazolo[3,2-b][1,3]oxazol-6-yl}ethan-1-one (CAS 1236228-63-9)
- [4-(4-Propylcyclohexyl)phenyl]boric acid (CAS 156837-90-0)
- 5-Fluoro-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (CAS 406923-62-4)
- Ketorolac impurity 65 (CAS CATO-C4X-166965)
- 4-Chloro-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 1611464-71-1)
- 4-Amino-N-(benzo[d]thiazol-2-yl)benzamide (CAS 36855-80-8)
- Liraglutide Impurity 15 TFA Salt (CAS CATO-C4X-199215)
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