2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-5-methyl-4-(p-tolyl)-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 860789-68-0
| CAS No. | 860789-68-0 |
| Molecular Formula | C16H12ClF3N4O |
| Molecular Weight | 368.74 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 368.74 g/mol gives 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-5-methyl-4-(p-tolyl)-2,4-dihydro-3H-1,2,4-triazol-3-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-5-methyl-4-(p-tolyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860789-68-0), a certified reference material (molecular formula C16H12ClF3N4O, MW 368.74 g/mol) for analytical method development and quality control.
Structurally, 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-5-methyl-4-(p-tolyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (C16H12ClF3N4O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 368.74 g/mol, it falls into the moderately-high-molecular-weight range. 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).
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.
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 | C16H12ClF3N4O |
| Molecular Weight | 368.74 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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 |
Related Chloro Standards
- 5-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)phenyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 1092343-50-4)
- 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-(1,3-dioxolan-2-yl)-1H-indole (CAS 338410-00-7)
- 2-(1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1H-indol-3-yl)acetohydrazide (CAS 339099-27-3)
- 3-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-3-phenylpiperidine-2,6-dione (CAS 339030-22-7)
- 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1h-pyrrol-3-yl}-2-cyanoprop-2-enoic acid (CAS 743440-55-3)
- Ethyl 2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzenecarboxylate (CAS 900015-41-0)
- Methyl 2-(1-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-1H-indol-3-yl)acetate (CAS 339099-19-3)
- N-(3-chloro-4-fluorophenyl)-2-((4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 263756-84-9)
Recommended Standards
- Ethyl 2-((2-chloro-4-fluorophenyl)imino)-4-(trifluoromethyl)-2,3-dihydrothiazole-5-carboxylate (CAS 937597-86-9)
- Dimethyl 5-(4-chlorophenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate (CAS 338420-26-1)
- 2-[(E)-2-[(2-Chloro-6-fluorophenyl)methylidene]hydrazin-1-yl]-3-(trifluoromethyl)quinoxaline (CAS 338962-29-1)
- N-(5-chloropyridin-2-yl)-2-(2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)propanamide (CAS 439111-83-8)
- 4-CHloro-1-(4-fluorophenyl)pyrazole (CAS 1152719-73-7)
- 2-((6-(Chloromethyl)pyridin-2-yl)methyl)isoindoline-1,3-dione (CAS 628308-52-1)
- 2-((4-(Aminomethyl)pyridin-3-yl)oxy)ethan-1-ol (CAS 1537804-78-6)
- 2-[(6-methoxypyridin-3-yl)amino]ethan-1-ol (CAS 1020955-98-9)
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- (3aR,7aR,8aS)-Hexahydro-1H-furo[3,4-b]pyrrolizine-7a(5H)-methanol (CAS 2833734-29-3)
- Trimethyl(2-(triphenylsilyl)ethyl)silane (CAS 102105-77-1)
- (2-Chlorophenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone (CAS 329058-15-3)
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