3-({4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl}sulfanyl)-5-(trifluoromethyl)pyridine-2-carbonitrile CAS 338968-20-0
| CAS No. | 338968-20-0 |
| Molecular Formula | C19H9Cl2F3N4S |
| Molecular Weight | 453.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 3-({4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl}sulfanyl)-5-(trifluoromethyl)pyridine-2-carbonitrile 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.
3-({4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl}sulfanyl)-5-(trifluoromethyl)pyridine-2-carbonitrile (CAS 338968-20-0), molecular formula C19H9Cl2F3N4S and molecular weight 453.27 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-({4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl}sulfanyl)-5-(trifluoromethyl)pyridine-2-carbonitrile (C19H9Cl2F3N4S) 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C19H9Cl2F3N4S |
| Molecular Weight | 453.27 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) | 15.0 |
| 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 |
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Recommended Standards
- 2-(2-Ethoxy-4-formyl-6-iodophenoxy)-N-phenethylacetamide (CAS 486994-22-3)
- Decitabine Impurity 24 (CAS 1207459-15-1)
- (2R,3S,5S)-5-acetoxy-2-(((4-chlorobenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-chlorobenzoate (CAS 1019659-88-1)
- Indapamide Impurity 35 (CAS CATO-C4X-140035)
- 2-Bromo-3-ethylthiophene (CAS 53119-61-2)
- 3-Morpholino-5-(trifluoromethyl)aniline (CAS 641571-02-0)
- 3-Isobutyl-1,4-dimethyl-1h-pyrazol-5-amine (CAS 1152651-47-2)
- 2-Chloro-1-methylpyridinium Iodide (CAS 14338-32-0)
- N-(2-((2-(dimethylamino)ethyl)carbamoyl)phenyl)furan-2-carboxamide (CAS 947031-02-9)
- 5-Bromo-4-phenylpyrimidin-2-amine (CAS 85658-55-5)
- 3-Hexenyl 2-methylbutyrate (CAS 10094-41-4)
- (R)-N-Ethyl-N-(1-(2-hydroxyethyl)pyrrolidin-3-yl)acetamide (CAS 1354003-69-2)
- 2-Amino-6,6-difluoro-5-hydroxyhexanoic acid (CAS 1198018-29-9)
- Semaglutide Impurity 18 (CAS 1671100-14-3)
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