4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline CAS 400007-74-1
| CAS No. | 400007-74-1 |
| Molecular Formula | C15H13F6N3O2S |
| Molecular Weight | 413.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline (CAS 400007-74-1) is a high-purity analytical reference standard with the molecular formula C15H13F6N3O2S and a molecular weight of 413.34 g/mol.
The molecular framework of 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline (C15H13F6N3O2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C15H13F6N3O2S |
| Molecular Weight | 413.34 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Bis Standards
- 5-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole (CAS 400079-89-2)
- 1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)-2,2,2-trichloroethanone (CAS 76784-42-4)
- 1,8-Bis(2,2,2-trifluoroethoxy)anthracene-9,10-dione (CAS 928797-14-2)
- 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methoxyl]benzoic acid (CAS 886762-34-1)
- 5-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]-1-(4-methylphenyl)-1H-1,2,4-triazole (CAS 400081-38-1)
- 2-({[2,5-bis(2,2,2-trifluoroethoxy)phenyl]formamido}oxy)acetic acid (CAS 338394-91-5)
- 4-Methyl-3-(2,2,2-trifluoroethoxy)-5H-pyrido[1’,2’:4,5][1,2,4]thiadiazino[2,3-a]benzimidazol-13-ium Chloride (CAS 111712-17-5)
- 2-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]acetic acid (CAS 886762-32-9)
Recommended Standards
- 3-n-Propyl-2-pyrazolin-5-one, 98% (CAS 29211-70-9)
- Ethyl 4-chloro-2-(((4-chlorophenyl)thio)methyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CAS 885459-29-0)
- 2-Chloro-N-((2-(4-chlorophenyl)-4-methylthiazol-5-yl)methyl)benzenesulfonamide (CAS 866018-51-1)
- N-(2,5-Dichlorophenyl)-2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 565464-68-8)
- (S)-2-((R)-2-((S)-2-((S)-2-((S)-1-Acetylpyrrolidine-2-carboxamido)-3-(1H-imidazol-4-yl)propanamido)-3-hydroxypropanamido)-3-mercaptopropanamido)succinamide (CAS 262438-43-7)
- (5R)-N-(tert-Butoxycarbonyl)-3,4,5,6-tetrahydro-5-phenyl-4(H)-1,4-oxazin-2-one (CAS 119878-90-9)
- N1-Pyridin-3-yl-ethane-1,2-diamine dihydrochloride (CAS 1965308-83-1)
- (R)-N-Cbz-2,6-dimethyl-5-hepten-1-amine (CAS 179685-74-6)
- 3-(1-benzylpiperidin-4-yl)-3,4-dihydroquinazolin-2-amine (CAS 337910-17-5)
- Senegin IV (CAS 51005-46-0)
- 1-(2-Methoxyethyl)-1h-1,2,3-triazol-4-amine (CAS 1537592-23-6)
- Geodin (CAS 427-63-4)
- (3aS,4S,6aS)-2,2,3a,6a-Tetramethyltetrahydrofuro[3,4-d][1,3]dioxol-4-ol (CAS 23262-84-2)
- Tau Peptide (294-305) (human) trifluoroacetate salt (CAS 1428135-29-8)
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