1-[(4-Methoxyphenyl)methyl]-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one CAS 861206-76-0
| CAS No. | 861206-76-0 |
| Molecular Formula | C18H16F3N3O2 |
| Molecular Weight | 363.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 363.33 g/mol gives 1-[(4-Methoxyphenyl)methyl]-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1-[(4-Methoxyphenyl)methyl]-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 861206-76-0), molecular formula C18H16F3N3O2 and molecular weight 363.33 g/mol, is a CATO reference standard with documented purity and traceability.
1-[(4-Methoxyphenyl)methyl]-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (C18H16F3N3O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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), 1-[(4-Methoxyphenyl)methyl]-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 | 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 Methoxyphenyl Standards
- 4-(3-Methoxyphenyl)-5-methyl-2-(3-(trifluoromethyl)benzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-46-5)
- 4-(4-Methoxyphenyl)-5-methyl-2-(3-(trifluoromethyl)benzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 861206-14-6)
- 4-[(4-Methoxyphenyl)sulfanyl]-2-(pyridin-2-yl)-6-(trifluoromethyl)pyrimidine (CAS 338418-07-8)
- 1030102-15-8 1-[4-(2-Methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxylic acid MFCD14281719 (CAS 1030102-15-8)
- 1-[(5Z)-5-{[(4-methoxyphenyl)amino]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyrrolidine-2,5-dione (CAS 400076-20-2)
- 4-(4-Methoxyphenyl)-2,6-diphenylpyrimidine-5-carbonitrile (CAS 89058-96-8)
- N-(2-Methoxyphenyl)-2-((3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)thio)acetamide (CAS 869073-92-7)
- 6-(4-Methoxyphenyl)benzo[b]pyrrolo[1,2-d][1,4]thiazepin-7-yl acetate (CAS 131403-76-4)
Recommended Standards
- N-(4-(2-Methoxyphenoxy)but-2-yn-1-yl)-2-(trifluoromethyl)benzamide (CAS 1421442-70-7)
- 2-N-Acetyl-1’,2’-di-O-acetyl-6-biopterin (CAS 81827-31-8)
- 5-(4-Ethoxy-3-methoxyphenyl)-3-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazole (CAS 1416348-06-5)
- 5-(4-Ethoxy-3-methoxyphenyl)-3-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazole (CAS 1416345-41-9)
- N-((1-(2-Methoxyethyl)piperidin-4-yl)methyl)-4-propylbenzenesulfonamide (CAS 953142-84-2)
- 4-(Trifluoromethyl)pyridine-2-sulfonyl chloride (CAS 174485-71-3)
- 2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethan-1-amine (CAS 1192570-20-9)
- (R)-2,3-dihydrobenzo[b]thiophene-3-carboxylic acid 1,1-dioxide (CAS 2380944-58-9)
- 3-(3,5-Dichlorophenyl)-1-(3-methylbutanoyl)imidazolidine-2,4-dione (CAS 70017-93-5)
- 4-(2H-1,2,3-triazol-2-yl)-2-(trifluoromethyl)aniline (CAS 1087792-57-1)
- 6-Fluorobenzofuran-3(2H)-one (CAS 351528-80-8)
- N-Ethyl-3,4-difluoroaniline (CAS 136491-15-1)
- 2-Hydroxy-5-sulfonicotinic Acid (CAS 334708-05-3)
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