5-Methyl-2-(2-phenoxyethyl)-4-(3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 861206-75-9
| CAS No. | 861206-75-9 |
| Molecular Formula | C18H16F3N3O2 |
| Molecular Weight | 363.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-Methyl-2-(2-phenoxyethyl)-4-(3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 861206-75-9), molecular formula C18H16F3N3O2 and molecular weight 363.33 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-Methyl-2-(2-phenoxyethyl)-4-(3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (C18H16F3N3O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine 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 363.33 g/mol, it falls into the moderately-high-molecular-weight range. 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.
As a certified reference material (CRM), 5-Methyl-2-(2-phenoxyethyl)-4-(3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-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.
Physical & Chemical Properties
| Molecular Formula | C18H16F3N3O2 |
| Molecular Weight | 363.33 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, 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-containing |
| Nitrogen Atoms | 3 |
Related Methyl Standards
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Recommended Standards
- 4-(4-Methoxyphenyl)-5-methyl-2-(3-(trifluoromethyl)benzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 861206-14-6)
- 6,7-Dimethoxy-N-(2-(trifluoromethyl)benzyl)quinazolin-4-amine (CAS 477855-26-8)
- 4-(3-Methoxyphenyl)-5-methyl-2-(3-(trifluoromethyl)benzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-46-5)
- 6,7-Dimethoxy-N-{[3-(trifluoromethyl)phenyl]methyl}quinazolin-4-amine (CAS 477859-89-5)
- 2-(4-Acetyl-3-fluorobenzenesulfonyl)acetic acid (CAS 1311317-52-8)
- N-(tert-Butyl)-2-methyl-6-((trimethylsilyl)ethynyl)isonicotinamide (CAS 2095616-87-6)
- (S)-Methyl 2-amino-3-(3,4-dimethoxyphenyl)propanoate (CAS 78083-80-4)
- 2-Fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide (CAS 745022-68-8)
- 2-(1h-Imidazol-2-yl)-1-phenylethan-1-amine hydrochloride (CAS 1170087-60-1)
- 5-Cyclopropoxy-4-iodopicolinaldehyde (CAS 1243456-86-1)
- 4-Acetamido-3-fluorophenylboronic Acid Pinacol Ester (CAS 269410-27-7)
- Salcaprozate Impurity 11 (CAS CATO-C4X-250711)
- 4-Methyl-2-vinylbenzaldehyde (CAS 1313762-41-2)
- Semaglutide impurity 37 (CAS CATO-C4X-222637)
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