Ethyl 5-(3-(trifluoromethyl)phenoxy)-3-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-6-carboxylate CAS 338957-80-5
| CAS No. | 338957-80-5 |
| Molecular Formula | C20H13F6N3O3 |
| Molecular Weight | 457.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 457.33 g/mol gives Ethyl 5-(3-(trifluoromethyl)phenoxy)-3-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-6-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Ethyl 5-(3-(trifluoromethyl)phenoxy)-3-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-6-carboxylate (CAS 338957-80-5) is a high-purity analytical reference standard with the molecular formula C20H13F6N3O3 and a molecular weight of 457.33 g/mol.
The molecular framework of Ethyl 5-(3-(trifluoromethyl)phenoxy)-3-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-6-carboxylate (C20H13F6N3O3) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C20H13F6N3O3 |
| Molecular Weight | 457.33 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 | 3 |
Related Ethyl Standards
- 3-(Trifluoromethyl)phenyl N-{1-[(2,6-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}carbamate (CAS 400084-82-4)
- 1-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)-1H-pyrazol-5-amine (CAS 321522-22-9)
- 4-((5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl)oxy)benzene-1-sulfonyl chloride (CAS 338412-09-2)
- 9,9-Bis(trifluoromethyl)-2,3,6,7-xanthenetetracarboxylic dianhydride (CAS 139162-14-4)
- 2,2′-Bis[4-(trifluoromethyl)phenyl]-5,5′-bithiazole (CAS 869896-76-4)
- 6-(Trifluoromethyl) Quinoline-4-thiol Dimer (CAS CATO-C4X-24763)
- Ethyl 3-({[3-(trifluoromethyl)phenyl]carbamoyl}methoxy)pyrido[1,2-a]indole-10-carboxylate (CAS 478081-18-4)
- 3-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}phenyl N,N-dimethylsulfamate (CAS 338405-87-1)
Recommended Standards
- Ethyl 5-(((4-chloro-N-(4-chlorophenyl)phenyl)sulfonamido)methyl)-4,5-dihydroisoxazole-3-carboxylate (CAS 306978-11-0)
- N-(3,5-Dichlorophenyl)-2-((4-(3-phenylisoxazol-5-yl)pyrimidin-2-yl)thio)acetamide (CAS 264187-78-2)
- Diethyl 5-(3-bromophenyl)-1-(m-tolyl)-1H-pyrazole-3,4-dicarboxylate (CAS 96722-99-5)
- N-(4-methoxyphenyl)-6-oxo-4-(trifluoromethyl)-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxamide (CAS 478067-11-7)
- 4-Hydroxy-2-methoxy-N-methylbenzamide (CAS 1190090-24-4)
- N-propylsulfoxide (CAS 4253-91-2)
- 15034-58-9 Germanium, isotope of mass 73 73Ge Germanium-73 (CAS 15034-58-9)
- 1-(5-Fluoro-2-hydroxyphenyl)-3-methylbutan-1-one (CAS 1225523-32-9)
- (2Z)-2-[(Z)-3-(4-tert-Butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile (CAS 1164452-67-8)
- 3-Methyl-N-(1-(pyridin-3-yl)ethyl)butan-1-amine (CAS 1019549-81-5)
- 1-Aminododecan-2-ol (CAS 4054-54-0)
- 5-Ethoxy-2-methyloxazole-4-carboxylic acid (CAS 3357-56-0)
- Ethyl 3-(2-aminoethyl)-1H-1,2,4-triazole-5-carboxylate (CAS 780027-47-6)
- Semaglutide Impurity 5 (CAS 23406-82-8)
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