(4E)-4-{[(3,5-dichlorophenyl)amino]methylidene}-1-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one CAS 338403-28-4
| CAS No. | 338403-28-4 |
| Molecular Formula | C18H9Cl2F6N3O2 |
| Molecular Weight | 484.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (4E)-4-{[(3,5-dichlorophenyl)amino]methylidene}-1-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies (4E)-4-{[(3,5-dichlorophenyl)amino]methylidene}-1-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one (CAS 338403-28-4), a certified reference material (molecular formula C18H9Cl2F6N3O2, MW 484.18 g/mol) for analytical method development and quality control.
The molecular framework of (4E)-4-{[(3,5-dichlorophenyl)amino]methylidene}-1-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one (C18H9Cl2F6N3O2) is characterized by a steroid core, an amide 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C18H9Cl2F6N3O2 |
| Molecular Weight | 484.18 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related E Standards
- (3-(2,6-Dichlorophenyl)-5-methylisoxazol-4-yl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone (CAS 378753-06-1)
- 1023504-62-2 3-(2,3-Dichlorophenyl)-1-(4-((6,7-dimethoxy(3,4-dihydroisoquinolyl))methyl)phenyl)urea MFCD03839403 (CAS 1023504-62-2)
- 1024375-31-2 3-(3,4-Dichlorophenyl)-1-(4-((6,7-dimethoxy(3,4-dihydroisoquinolyl))methyl)phenyl)urea MFCD03839406 (CAS 1024375-31-2)
- Methyl 4-{[(5-{[(2,6-dichlorophenyl)methanesulfinyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate (CAS 344271-91-6)
- 2-[(2,6-Dichlorophenyl)methanesulfonyl]-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole (CAS 339277-33-7)
- (2E)-1-{4-[(2,4-dichlorophenyl)methoxy]phenyl}-3-{[2-(morpholin-4-yl)phenyl]amino}prop-2-en-1-one (CAS 478039-19-9)
- cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl p-Tolylsulfonate (CAS 155047-76-0)
- (2E)-3-{4-[(2,4-dichlorophenyl)methoxy]phenyl}-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one (CAS 477888-67-8)
Recommended Standards
- 4-((3,5-Dibromo-2-hydroxybenzylidene)amino)-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 478257-38-4)
- 3'-Chloro-3-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)-2-methyl-5'-(trifluoromethyl)-4H-[1,2'-bipyridin]-4-one (CAS 303151-90-8)
- Benzyl 3-(1-bromo-5,8-dichloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate (CAS 1419223-18-9)
- JNJ 10397049 (CAS 708275-58-5)
- Ethyl (R)-2-(4-oxocyclohexyl)propanoate (CAS 2231666-19-4)
- Dimethyl 2-(1-(2-methoxyphenyl)-3-oxo-3-(thiophen-2-yl)propyl)malonate (CAS 685108-45-6)
- 1-(2-Fluorophenyl)hexan-2-one (CAS 150322-71-7)
- Tetrabutylammonium perruthenate (CAS 96317-72-5)
- Tert-butyl 4-(6-(2-acetyl-1H-pyrrol-1-yl)pyridin-2-yl)piperazine-1-carboxylate (CAS 1146080-83-2)
- 4-((4-Ethylbenzyl)amino)butan-2-ol (CAS 1341524-35-3)
- 1-((4-Hydroxybenzyl)oxy)propan-2-one (CAS 952101-44-9)
- Butenafine Impurity N1 (CAS 79135-60-7)
- 1-(3,4-Dimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CAS 887201-31-2)
- Semaglutide Impurity 164 (CAS CATO-C4X-2226164)
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