N-[(Z)-2-[4-(4-Chlorophenyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitroethenyl]-4-methoxyaniline CAS 400079-83-6
| CAS No. | 400079-83-6 |
| Molecular Formula | C18H13ClF3N5O3 |
| Molecular Weight | 439.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-[(Z)-2-[4-(4-Chlorophenyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitroethenyl]-4-methoxyaniline (C18H13ClF3N5O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine 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. 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).
N-[(Z)-2-[4-(4-Chlorophenyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitroethenyl]-4-methoxyaniline (CAS 400079-83-6), molecular formula C18H13ClF3N5O3 and molecular weight 439.78 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 | C18H13ClF3N5O3 |
| Molecular Weight | 439.78 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/Cl-containing |
| Nitrogen Atoms | 5 |
Recommended Standards
- 4-Chloro-N-[(Z)-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline (CAS 400079-84-7)
- 3-Chloro-N-((3-(1-(4-fluorophenyl)-1H-pyrazol-3-yl)-4,5-dihydroisoxazol-5-yl)methyl)-5-(trifluoromethyl)pyridin-2-amine (CAS 318951-75-6)
- 2-((4-Chlorobenzyl)sulfinyl)-1,1-bis(4-chlorophenyl)ethanol (CAS 252026-70-3)
- 3-Bromo-2,6-diiodo-5-methoxypyridine (CAS 1040682-61-8)
- 2-Bromo-3-methoxy-1-methyl-4-nitrobenzene (CAS 1807185-87-0)
- 4-(((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid (CAS 678558-55-9)
- 2-(Chloromethyl)-4-phenylthiazole (CAS 65385-00-4)
- (R)-2-Methyl-N-(naphthalen-1-yl)propane-2-sulfinamide (CAS 1372133-76-0)
- N-(4-(2,4-dichlorophenyl)thiazol-2-yl)-2-((2,4,5-trichlorophenyl)thio)acetamide (CAS 338957-96-3)
- 2-(4-Amino-3-methoxyphenoxy)ethan-1-ol (CAS 1258492-36-2)
- Dacomitinib Impurity 8 (CAS CATO-C4X-20868)
- N-(2,6-dichlorophenyl)hydrazinecarbothioamide (CAS 13207-55-1)
- 5',5'''-Bis(4-formylphenyl)-[1,1':3',1'':4'',1''':3''',1''''-quinquephenyl]-4,4''''-dicarbaldehyde (CAS 2417655-42-4)
- Semaglutide impurity 97 (CAS CATO-C4X-222697)
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