Ethyl 5-[(2,4-dichlorophenyl)sulfanyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate CAS 338957-02-1
| CAS No. | 338957-02-1 |
| Molecular Formula | C19H12Cl2F3N3O2S |
| Molecular Weight | 474.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 5-[(2,4-dichlorophenyl)sulfanyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Ethyl 5-[(2,4-dichlorophenyl)sulfanyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate (CAS 338957-02-1), molecular formula C19H12Cl2F3N3O2S and molecular weight 474.28 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Ethyl 5-[(2,4-dichlorophenyl)sulfanyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate (C19H12Cl2F3N3O2S) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine 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. 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).
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 | C19H12Cl2F3N3O2S |
| Molecular Weight | 474.28 g/mol |
| 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 | 3 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
- 1-{4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 956627-68-2)
- Ethyl 5-(2,4-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrrole-3-carboxylate (CAS 338396-55-7)
- 3-(2,4-Dichlorophenyl)-N-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (CAS 400075-14-1)
- 2-((4-(2,4-Dichlorophenyl)-5-((naphthalen-1-ylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 1306738-78-2)
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- N-{1-[(3,4-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}-1-{[3-(trifluoromethyl)phenyl]sulfanyl}formamide (CAS 338783-87-2)
- 1-(3,4-Dichlorophenyl)-3-(4-fluorophenyl)-5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole (CAS 329778-82-7)
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Recommended Standards
- (E)-({5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methylidene)amino 2-chlorobenzoate (CAS 321533-89-5)
- Ro 51 (CAS 1050670-85-3)
- Ethyl 2-iodo-2-(triphenylphosphoranylidene)acetate (CAS 26480-87-5)
- 2,2-Dimethyl-4-oxo-7-[(trifluoromethane)sulfonylox y]-2,4-dihydro-1,3-benzodioxin-5-yltrifluorometha (CAS 603044-07-1)
- 4-Amino-2-chloro-5-pyrimidinecarbonitrile (CAS 94741-69-2)
- 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid (CAS 568543-95-3)
- n-(4-Fluorophenyl)piperidin-3-amine (CAS 1247487-90-6)
- Pyrrolo[1,2-a]pyrazine-1-carboxylic acid (CAS 1895300-97-6)
- 4-(4-Benzyloxyphenyl)-3-methylbenzoic acid (CAS 167627-35-2)
- N-ethyl-3,4,5,6-tetrahydro-[2,3'-bipyridin]-6'-amine (CAS 1352512-11-8)
- 3-((4-Nitro-2-(trifluoromethyl)phenyl)amino)propan-1-ol (CAS 115416-49-4)
- 2-Amino-5-fluoro-3-methylbenzenethiol (CAS 211868-21-2)
- 3-Bromo-6-(trifluoromethyl)-1H-indole-5-carbonitrile (CAS 1186404-83-0)
- Neuropeptide SF (human) (CAS 192387-39-6)
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