3-(2-Chlorophenyl)-5-methyl-4-(5-((3-(trifluoromethyl)phenoxy)methyl)-1H-1,2,4-triazol-3-yl)isoxazole CAS 400078-58-2
| CAS No. | 400078-58-2 |
| Molecular Formula | C20H14ClF3N4O2 |
| Molecular Weight | 434.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(2-Chlorophenyl)-5-methyl-4-(5-((3-(trifluoromethyl)phenoxy)methyl)-1H-1,2,4-triazol-3-yl)isoxazole (C20H14ClF3N4O2) 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 aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
3-(2-Chlorophenyl)-5-methyl-4-(5-((3-(trifluoromethyl)phenoxy)methyl)-1H-1,2,4-triazol-3-yl)isoxazole (CAS 400078-58-2), molecular formula C20H14ClF3N4O2 and molecular weight 434.80 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 | C20H14ClF3N4O2 |
| Molecular Weight | 434.80 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
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Recommended Standards
- 2-(2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-4-(1H-pyrrol-1-yl)isoindoline-1,3-dione (CAS 339101-76-7)
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- 1,4-Bis[dimethyl[2-(5-norbornen-2-yl)ethyl]silyl]benzene (CAS 307496-40-8)
- 4-Amino-7-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile (CAS 338410-29-0)
- 3-(2-Methylallyl)thiazolidine-2,4-dione (CAS 122834-34-8)
- (S)-8-(tert-butoxycarbonyl)-3,3-difluoro-8-azaspiro[4.5]Decane-1-carboxylic acid (CAS 2306248-21-3)
- H-p-Fluoro-D-Phe-OMe · HCl (CAS 176896-72-3)
- 3-(cyclohexanesulfonyl)aniline (CAS 80213-38-3)
- Bilastine Impurity 49 (CAS 2767509-01-1)
- N,N-Diisobutylformamide (CAS 2591-76-6)
- Ethyl hexahydro-2-oxo-3a(1H)-pentalenecarboxylate (CAS 180573-21-1)
- Dichloroplatinum,diTributylphosphanium (CAS 15391-01-2)
- 3-(2-Fluorophenyl)pyrrolidine (CAS 885277-79-2)
- Semaglutide impurity 24 (CAS CATO-C4X-222624)
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