1-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-3,3-dimethylbutan-2-one CAS 680217-04-3
| CAS No. | 680217-04-3 |
| Molecular Formula | C20H18ClF3N4OS |
| Molecular Weight | 454.90 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 1-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-3,3-dimethylbutan-2-one 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.
1-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-3,3-dimethylbutan-2-one (CAS 680217-04-3) is a high-purity analytical reference standard with the molecular formula C20H18ClF3N4OS and a molecular weight of 454.90 g/mol.
Based on its molecular formula C20H18ClF3N4OS, 1-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-3,3-dimethylbutan-2-one contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 454.90 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C20H18ClF3N4OS |
| Molecular Weight | 454.90 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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- Tivozanib Impurity 12 (CAS CATO-C4X-340012)
- 2,6-Dimethyl-2',4'-difluorobiphenyl-4-carboxaldehyde (CAS 1350760-27-8)
- 2-Bromo-5-(1-ethylpyrrolidin-2-yl)pyridine (CAS 1352511-51-3)
- 4-(Phenylthio)butane-1-sulfonyl chloride (CAS 1375068-15-7)
- Acid Violet 43 (CAS 4430-18-6)
- 4-Chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidineHydrochloride (CAS 647863-08-9)
- 1-Butyl-4-iodo-5-methyl-1H-pyrazole (CAS 1354705-47-7)
- 5,8-dibromoimidazo[1,2-a]pyridin-3-amine (CAS 1427373-61-2)
- 4-Nitrophenylglyoxal hydrate (CAS 4996-22-9)
- 2,4-Dichloro-6-(4-chlorophenoxy)-1,3,5-triazine (CAS 30886-26-1)
- Gastric Inhibitory Polypeptide (human) (CAS 100040-31-1)
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