N-[(E)-2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6-methyl-1,2,4-triazin-5-yl)ethenyl]-3-(trifluoromethyl)aniline CAS 477866-57-2
| CAS No. | 477866-57-2 |
| Molecular Formula | C20H16ClF3N4S |
| Molecular Weight | 436.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), N-[(E)-2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6-methyl-1,2,4-triazin-5-yl)ethenyl]-3-(trifluoromethyl)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.
N-[(E)-2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6-methyl-1,2,4-triazin-5-yl)ethenyl]-3-(trifluoromethyl)aniline (CAS 477866-57-2) is a high-purity analytical reference standard with the molecular formula C20H16ClF3N4S and a molecular weight of 436.88 g/mol.
The molecular framework of N-[(E)-2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6-methyl-1,2,4-triazin-5-yl)ethenyl]-3-(trifluoromethyl)aniline (C20H16ClF3N4S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C20H16ClF3N4S |
| Molecular Weight | 436.88 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Recommended Standards
- 4-(6-Dimethylamino-4-trifluoromethyl-pyridin-2-yl)-thiobenzoic acid S-(4-chloro-phenyl) ester (CAS 1923177-13-2)
- Ertugliflozin Impurity 2 (CAS CATO-C4X-30112)
- 3-(6-Dimethylamino-4-trifluoromethyl-pyridin-2-yl)-thiobenzoic acid S-(4-chloro-phenyl) ester (CAS 1311279-00-1)
- Ertugliflozin impurity 27 (CAS 1210344-58-3)
- Adamantan-1-amine-d2 (CAS 40933-03-7)
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- Methyl 3-Chlorocyclobutanecarboxylate (CAS 15963-46-9)
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