4-(4-(Tert-butyl)phenyl)-2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 860612-54-0
| CAS No. | 860612-54-0 |
| Molecular Formula | C19H18ClF3N4O |
| Molecular Weight | 410.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 410.82 g/mol gives 4-(4-(Tert-butyl)phenyl)-2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-(4-(Tert-butyl)phenyl)-2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860612-54-0), molecular formula C19H18ClF3N4O and molecular weight 410.82 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 4-(4-(Tert-butyl)phenyl)-2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 410.82 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
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 | C19H18ClF3N4O |
| Molecular Weight | 410.82 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Recommended Standards
- 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole (CAS 648859-80-7)
- 7-(Benzyloxy)-N-(3-chloro-4-fluorophenyl)-6-methoxybenzo[d][1,2,3]triazin-4-amine (CAS 1956319-49-5)
- 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-N'-[(1E)-phenylmethylidene]piperidine-4-carbohydrazide (CAS 338761-40-3)
- (E)-3-(3-(((4-chlorophenyl)sulfonyl)methyl)-4-nitrophenyl)-3-oxopropanal O-methyl oxime (CAS 303145-56-4)
- 7-Bromo-3-iodo-1H-pyrrolo[3,2-b]pyridine (CAS 1190319-07-3)
- tert-Butyl ((3R,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl)carbamate (CAS 1456803-36-3)
- 2-(2-Aminopyrimidin-4-yl)-4-chlorophenol (CAS 925003-43-6)
- 3-Bromo-2-chloro-5-(trifluoromethyl)benzonitrile (CAS 133013-31-7)
- 3-Bromo-2-chloro-4-fluoropyridine (CAS 1349717-04-9)
- n-(1-(Thiazol-2-yl)ethyl)prop-2-en-1-amine (CAS 1343347-04-5)
- Axitinib Impurity 17 (CAS 20054-45-9)
- 1-(5-Indanyl)thiourea (CAS 117174-86-4)
- 2-Isopropyl-6-(trifluoromethyl)morpholine (CAS 1375473-50-9)
- Semaglutide Impurity 2 (CAS CATO-C4X-22262)
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