2-((3-Fluorobenzyl)thio)-3-phenyl-6-(trifluoromethyl)pyrimidin-4(3H)-one CAS 692287-48-2
| CAS No. | 692287-48-2 |
| Molecular Formula | C18H12F4N2OS |
| Molecular Weight | 380.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO manufactures 2-((3-Fluorobenzyl)thio)-3-phenyl-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.
2-((3-Fluorobenzyl)thio)-3-phenyl-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 692287-48-2) is a high-purity analytical reference standard with the molecular formula C18H12F4N2OS and a molecular weight of 380.36 g/mol.
The molecular framework of 2-((3-Fluorobenzyl)thio)-3-phenyl-6-(trifluoromethyl)pyrimidin-4(3H)-one (C18H12F4N2OS) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
Physical & Chemical Properties
| Molecular Formula | C18H12F4N2OS |
| Molecular Weight | 380.36 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.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Fluorobenzyl Standards
- 1-(4-Fluorobenzyl)-5-oxo-N-(4-oxo-4H-chromen-2-yl)pyrrolidine-2-carboxamide (CAS 59749-50-7)
- 1-(4-Fluorobenzyl)-5-oxo-N-(3-(trifluoromethyl)phenyl)pyrrolidine-2-carboxamide (CAS 59749-51-8)
- 2-((2-Fluorobenzyl)thio)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 626228-62-4)
- 3-(2-Fluorobenzyl)-6-iodoquinazolin-4(3H)-one (CAS 302913-41-3)
- (2-(2-((4-Fluorobenzyl)oxy)-5-(trifluoromethyl)phenyl)cyclopent-1-en-1-yl)boronic acid (CAS 612833-84-8)
- 4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate (CAS 331461-75-7)
- 4-(4-Fluorobenzyl)-3-((4-methylbenzyl)thio)-5-(trifluoromethyl)-4H-1,2,4-triazole (CAS 866152-92-3)
- 5-((4-Fluorobenzyl)oxy)-4-oxo-N-(3-phenylpropyl)-4H-pyran-2-carboxamide (CAS 1021060-60-5)
Recommended Standards
- 1-Benzyl-4-(3-(trifluoromethyl)phenoxy)phthalazine (CAS 338404-35-6)
- 2-(4-(Pyridin-2-yl)piperazin-1-yl)-N-(4-(trifluoromethoxy)phenyl)acetamide (CAS 303091-93-2)
- ((2R,3S,4R,5R)-5-(6-(CYCLOPENTYLAMINO)-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHYL NITRATE (CAS 871108-05-3)
- 4-{[4-(2-Thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoic acid (CAS 685837-06-3)
- 2-(1-amino-2-ethylbutyl)thiophene hydrochloride (CAS 1193387-61-9)
- (R)-2-Bromo-3-hydroxypropanoic acid (CAS 110994-91-7)
- 3-Methyl-5-(5-methyl-2H-1,2,3-triazol-4-yl)isoxazole (CAS 51719-87-0)
- 3-(2-methylpropyl)furan-2-carboxylic acid (CAS 2005279-26-3)
- 4-methylpyrrole-2-carboxylic acid (CAS 18711-59-6)
- Thiazolo[5,4-c]isoquinolin-2-amine (CAS 10296-35-2)
- 3-(2-Chlorophenyl)-5-isoxazolemethanol (CAS 438565-33-4)
- 4-(Trifluoromethyl)benzo[d]oxazole-2-carboxylic acid (CAS 1806424-55-4)
- 2-Bromo-1-(2-methylquinolin-3-yl)ethanone (CAS 620603-89-6)
- Peptide 433 (CAS CATO-CPTD788433)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com