2-{[(3-fluorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine CAS 866136-19-8
| CAS No. | 866136-19-8 |
| Molecular Formula | C18H12F4N2S |
| Molecular Weight | 364.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 2-{[(3-fluorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine (CAS 866136-19-8), a certified reference material (molecular formula C18H12F4N2S, MW 364.36 g/mol) for analytical method development and quality control.
2-{[(3-fluorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine (C18H12F4N2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine 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. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
Physical & Chemical Properties
| Molecular Formula | C18H12F4N2S |
| Molecular Weight | 364.36 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.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related fluorophenyl Standards
- 5-[(3-Fluorophenyl)methyl]-7-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-4-one (CAS 1008495-00-8)
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Recommended Standards
- 2-((4-Fluorobenzyl)thio)-5-(3-(trifluoromethyl)phenyl)pyrimidine (CAS 339102-01-1)
- 3-(1,3-Dioxan-2-yl)-1-(4'-(trifluoromethyl)-[1,1'-biphenyl]-2-yl)propan-1-one (CAS 898757-56-7)
- 1-(6-Methyl-2-pyridinyl)-N-[(Z)-1-(4-nitrophenyl)ethylidene]-1H-imidazole-4-carbohydrazide (CAS 477858-69-8)
- 3-Phenyl-2-(2-(trifluoromethyl)benzyl)-1H-inden-1-one (CAS 337921-67-2)
- 3-(Pyrazin-2-yloxy)-8-azabicyclo[3.2.1]Octane (CAS 1701623-05-3)
- Ethyl 2-amino-3-(2-propyl-1h-imidazol-1-yl)propanoate (CAS 1343368-30-8)
- 5-Bromo-2-chloro-N-methoxy-N-methylnicotinamide (CAS 885223-63-2)
- (1-Azabicyclo[2.2.1]heptan-4-yl)methanamine (CAS 1135935-37-3)
- n1,n1-Diethyl-n3-(furan-2-ylmethyl)propane-1,3-diamine (CAS 932270-03-6)
- 1-Mesityl-5-oxopyrrolidine-3-carboxylic acid (CAS 63675-25-2)
- 2-(((4-Ethylphenyl)amino)methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1241674-58-7)
- 1,3-Dibromo-5-(difluoromethyl)-2-methoxybenzene (CAS 2149591-33-1)
- 4-((5-Bromopyrimidin-2-yl)oxy)-3-methylaniline (CAS 111986-57-3)
- Insulin B (22-25) (CAS 34367-73-2)
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