6-(4-Chlorophenyl)-4-(trifluoromethyl)-2-{[3-(trifluoromethyl)phenyl]sulfanyl}pyridine-3-carbonitrile CAS 478049-42-2
| CAS No. | 478049-42-2 |
| Molecular Formula | C20H9ClF6N2S |
| Molecular Weight | 458.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 6-(4-Chlorophenyl)-4-(trifluoromethyl)-2-{[3-(trifluoromethyl)phenyl]sulfanyl}pyridine-3-carbonitrile is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
6-(4-Chlorophenyl)-4-(trifluoromethyl)-2-{[3-(trifluoromethyl)phenyl]sulfanyl}pyridine-3-carbonitrile (CAS 478049-42-2) is a high-purity analytical reference standard with the molecular formula C20H9ClF6N2S and a molecular weight of 458.81 g/mol.
Structurally, 6-(4-Chlorophenyl)-4-(trifluoromethyl)-2-{[3-(trifluoromethyl)phenyl]sulfanyl}pyridine-3-carbonitrile (C20H9ClF6N2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 458.81 g/mol, it falls into the moderately-high-molecular-weight range. 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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C20H9ClF6N2S |
| Molecular Weight | 458.81 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
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Recommended Standards
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