Ethyl 4-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate CAS 339019-44-2
| CAS No. | 339019-44-2 |
| Molecular Formula | C16H13F6N3O2S |
| Molecular Weight | 425.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO manufactures Ethyl 4-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate 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.
Ethyl 4-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate (CAS 339019-44-2) is a high-purity analytical reference standard with the molecular formula C16H13F6N3O2S and a molecular weight of 425.35 g/mol.
Structurally, Ethyl 4-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate (C16H13F6N3O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 425.35 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C16H13F6N3O2S |
| Molecular Weight | 425.35 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
- 4-[(Benzenesulfonyl)methyl]-6-[(2,4-dichlorophenyl)sulfanyl]-2-methylpyrimidine (CAS 338960-51-3)
- Methyl (E)-3-benzamido-6-(2-(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)vinyl)-2-oxo-2H-pyran-5-carboxylate (CAS 341966-37-8)
- 4-[(4-Chlorobenzenesulfonyl)methyl]-6-[(4-chlorophenyl)sulfanyl]-2-methylpyrimidine (CAS 338960-45-5)
- 6-Imino-2-oxo-5-[(E)-[(2E)-3-phenylprop-2-en-1-ylidene]amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile (CAS 1048915-35-0)
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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