4-Methyl-N-[(Z)-2-[4-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline CAS 400079-87-0
| CAS No. | 400079-87-0 |
| Molecular Formula | C19H16F3N5O2 |
| Molecular Weight | 403.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Methyl-N-[(Z)-2-[4-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline (C19H16F3N5O2) 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
4-Methyl-N-[(Z)-2-[4-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline (CAS 400079-87-0), molecular formula C19H16F3N5O2 and molecular weight 403.36 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C19H16F3N5O2 |
| Molecular Weight | 403.36 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
Recommended Standards
- 4-Methoxy-N'-methyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide (CAS 672950-94-6)
- GlyRS-IN-1 (CAS 112921-11-6)
- 2-((9,10-Dioxo-9,10-dihydroanthracen-2-yl)amino)-2-oxoethyl 3-fluorobenzoate (CAS 848333-45-9)
- 1-(tert-Butyl) 3-ethyl 4-(((trifluoromethyl)sulfonyl)oxy)-5,6-dihydropyridine-1,3(2H)-dicarboxylate (CAS 176525-98-7)
- 5-Chloro-2,3-dihydro-1H-inden-4-ol (CAS 90649-72-2)
- (3S,4S)-3-fluorooxan-4-amine (CAS 1395080-73-5)
- 2,5-Dimethyl-9H-carbazole (CAS 78787-79-8)
- tert-Butyl 3-((2,2,2-trifluoroethyl)amino)piperidine-1-carboxylate (CAS 1285359-02-5)
- 1-Bromo-3-isopropyl-4-methylpent-2-ene (CAS 1115-21-5)
- Spiro[oxirane-2,4'-pentacyclo[6.3.0.0^{2,6}.0^{3,10}.0^{5,9}]undecane] (CAS 1373932-60-5)
- 4-Acetyl-n-benzylbenzene-1-sulfonamide (CAS 730953-90-9)
- 6-Chloro-5-phenylpyrazin-2-amine (CAS 1357159-12-6)
- Tofacitinib Impurity 34 (Mixture of Diastereomers) (CAS 344418-92-4)
- Insulin Degludec Impurity 9 (CAS CATO-C4X-21579)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com