1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one CAS 860789-06-6
| CAS No. | 860789-06-6 |
| Molecular Formula | C16H10Cl2F6N6O |
| Molecular Weight | 487.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860789-06-6), molecular formula C16H10Cl2F6N6O and molecular weight 487.19 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C16H10Cl2F6N6O, 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 487.19 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C16H10Cl2F6N6O |
| Molecular Weight | 487.19 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 | 6 |
Related Chloro Standards
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Recommended Standards
- ((2R,5S)-5-(4-Amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl)methyl tetrahydrogen triphosphate (CAS 145819-92-7)
- 5-(Dimethoxymethyl)-5-propylimidazolidine-2,4-dione (CAS 7146-47-6)
- Carbovir Triphosphate (CAS 121864-74-2)
- Resmetirom impurity 125 (CAS CATO-C4X-2912125)
- methyl 8-bromoimidazo[1,2-a]pyridine-6-carboxylate (CAS 1234616-08-0)
- 2-(4-BROMOPHENYL)-3-HYDROXYPROPANENITRILE (CAS 123654-61-5)
- (E)-3-(2-(Trifluoromethyl)phenyl)prop-2-en-1-ol (CAS 125617-14-3)
- Samidorphan Impurity 4 (CAS CATO-C4X-33094)
- 2-(2-Chloro-6-methylpyrimidin-4-yl)ethanamine (CAS 933746-14-6)
- 5-Bromo-N-methyl-N-((3-methylthiophen-2-yl)methyl)nicotinamide (CAS 940821-72-7)
- N1,N2,N2-Trimethyl-1-phenylethane-1,2-diaminedihydrochloride (CAS 1171365-90-4)
- Vilanterol Impurity 27 (CAS 503068-65-3 (free base))
- 4-(Cyclohexyl(methyl)amino)butan-1-ol (CAS 78345-59-2)
- Des-Pro36-37-Tirzepatide (CAS CATO-CPTD788938)
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