3-Methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one CAS 860789-84-0
| CAS No. | 860789-84-0 |
| Molecular Formula | C10H8F3N3O |
| Molecular Weight | 243.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-Methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one.
CATO supplies 3-Methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860789-84-0), a certified reference material (molecular formula C10H8F3N3O, MW 243.19 g/mol) for analytical method development and quality control.
The molecular framework of 3-Methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (C10H8F3N3O) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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), 3-Methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-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 | C10H8F3N3O |
| Molecular Weight | 243.19 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Methyl Standards
- (1-(4-(Trifluoromethyl)phenyl)-1h-tetrazol-5-yl)methanamine (CAS 1274611-35-6)
- 5-{[4-(trifluoromethyl)phenyl]methyl}-1,2,4-oxadiazol-3-amine (CAS 1275499-44-9)
- (5-(3-(Trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)methanamine (CAS 1304414-45-6)
- 3-Methyl-1-[5-(trifluoromethyl)pyridin-2-yl]-4,5-dihydro-1h-pyrazol-5-one (CAS 132214-72-3)
- (1-(2-(Trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanol (CAS 1338669-69-4)
- (5-(3-(Trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)methanamine (CAS 944906-90-5)
- 1-{3-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methanamine (CAS 944905-99-1)
- 1-{3-[4-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methanamine (CAS 944905-96-8)
Recommended Standards
- 2-(6-(Trifluoromethyl)imidazo[1,2-a]pyridin-3-yl)acetamide (CAS 603309-16-6)
- 4-(2-Methyl-3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 2198846-65-8)
- 2-(2-(Trifluoromethyl)-1H-benzo[d]imidazol-1-yl)acetamide (CAS 328964-84-7)
- 5-Fluoro-2-nitro-9H-fluoren-9-one (CAS 7148-56-3)
- 4-Bromo-1-(sec-butyl)-5-(methoxymethyl)-1H-pyrazole (CAS 1856096-93-9)
- 1-Allyl-3-(2-chloro-acetyl)-urea (CAS 5544-34-3)
- Methyl [2,3'-bipyridine]-6-carboxylate (CAS 1214374-78-3)
- 4-methyl-N-(prop-2-yn-1-yl)benzenesulfonamide (CAS 55022-46-3)
- Ethyl 4-formyl-2,5-dimethyl-1-phenyl-1h-pyrrole-3-carboxylate (CAS 175276-52-5)
- Methyl 2-(2-acetamidophenyl)acetate (CAS 134810-89-2)
- 6-(2-Chlorophenyl)-3-pyridinecarbaldehyde (CAS 898404-60-9)
- 5,6-Dimethoxy-1H-indazole (CAS 7746-30-7)
- D-Erythrose 4-Phosphate (CAS 585-18-2)
- Insulin Degludec Impurity 11 (CAS CATO-C4X-215711)
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