2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-4-(2,4-dimethoxyphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 861206-40-8
| CAS No. | 861206-40-8 |
| Molecular Formula | C17H14ClF3N4O3 |
| Molecular Weight | 414.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO supplies 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-4-(2,4-dimethoxyphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 861206-40-8), a certified reference material (molecular formula C17H14ClF3N4O3, MW 414.77 g/mol) for analytical method development and quality control.
The molecular framework of 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-4-(2,4-dimethoxyphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (C17H14ClF3N4O3) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, 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).
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 | C17H14ClF3N4O3 |
| Molecular Weight | 414.77 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| 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 |
Related Chloro Standards
- 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-9-hydroxy-3,5-dioxo-4-azatricyclo[5.2.1.0^{2,6}]decane-8-carbonitrile (CAS 1005068-81-4)
- 1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-6-[(2E)-2-(methoxyimino)ethyl]-4-oxo-1,4-dihydropyrimidine-5-carbonitrile (CAS 303148-49-4)
- (E)-3-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)-2-propionamidoacrylic acid (CAS 1630103-73-9)
- N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-Urea (CAS 1211298-93-9)
- N-(3-Chloro-4-methoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CAS 1775546-35-4)
- 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperidin-4-yl 4-methoxybenzoate (CAS 306976-41-0)
- Ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-{[(4-methylphenyl)methyl]carbamoyl}acetate (CAS 478063-73-9)
- 2-(2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-4-nitroisoindoline-1,3-dione (CAS 339278-10-3)
Recommended Standards
- 6-((4-Chlorophenyl)sulfonyl)-2-phenyl-5-(trifluoromethyl)pyridazin-3(2H)-one (CAS 866131-12-6)
- Methotrexate Impurity 69 (CAS CATO-C4X-115469)
- [5-(4-Fluorobenzenesulfonyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl 2-chloroacetate (CAS 318469-42-0)
- Methotrexate Impurity 71 (CAS CATO-C4X-115471)
- 5-Iodo-1,3,4-thiadiazole-2-carboxylic acid (CAS 1936218-48-2)
- 2-((3-Cyano-4,6-dimethylpyridin-2-yl)thio)-N-(4-methyl-3-nitrophenyl)acetamide (CAS 332161-14-5)
- Ethyl methylvalinate (CAS 1228424-68-7)
- 2-[2-(Methylsulfonamido)phenyl]acetic Acid (CAS 1047724-24-2)
- 2-{imidazo[1,2-a]pyridin-2-yl}morpholine (CAS 1537067-69-8)
- 4,6-Dichloro-N-ethylnicotinamide (CAS 2782031-52-9)
- 4,2':6',4''-Terpyridine (CAS 70650-95-2)
- 2-(4-(Pentylthio)phenyl)ethan-1-ol (CAS 1443307-44-5)
- tert-Butyl 4-((2-amino-N-ethylacetamido)methyl)piperidine-1-carboxylate (CAS 1353957-36-4)
- Ac-(5-31)Semaglutide (CAS CATO-C4X-2226279)
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