(2E)-1-{3-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-3-[(4-chlorophenyl)amino]prop-2-en-1-one CAS 478039-92-8
| CAS No. | 478039-92-8 |
| Molecular Formula | C22H16Cl2FNO2 |
| Molecular Weight | 416.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
(2E)-1-{3-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-3-[(4-chlorophenyl)amino]prop-2-en-1-one (CAS 478039-92-8), molecular formula C22H16Cl2FNO2 and molecular weight 416.27 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of (2E)-1-{3-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-3-[(4-chlorophenyl)amino]prop-2-en-1-one (C22H16Cl2FNO2) 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 its high hydrophobicity (logP), 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).
As a certified reference material (CRM), (2E)-1-{3-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-3-[(4-chlorophenyl)amino]prop-2-en-1-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C22H16Cl2FNO2 |
| Molecular Weight | 416.27 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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 | 1 |
Related E Standards
- (E)-3-((4-chloro-2-fluorophenyl)amino)-1-(2-((4-chlorobenzyl)oxy)phenyl)prop-2-en-1-one (CAS 551931-18-1)
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Recommended Standards
- Ethyl 5-(benzyloxy)-6-bromo-2-formyl-1-methyl-1H-indole-3-carboxylate (CAS 1704066-45-4)
- (2E)-1-{4-[(2,4-dichlorophenyl)methoxy]phenyl}-3-[(4-fluorophenyl)amino]prop-2-en-1-one (CAS 478033-91-9)
- 5-((Benzyloxy)methoxy)-1-(3-bromophenyl)-2-(hydroxymethyl)pyridin-4(1H)-one (CAS 1632286-22-6)
- (9H-Fluoren-9-yl)MethOxy]Carbonyl L-2-Amino-4-bromo-4-pentenoic acid (CAS 220497-60-9)
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- 1-Phenethylpiperidine-4-carboxylic acid (CAS 807315-42-0)
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- Ethyl 2-(4-hydroxyphenyl)quinoline-4-carboxylate (CAS 373615-27-1)
- Stevioside (CAS 57817-89-7)
- Diethyl 3,3'-(2,2-dimethyl-4,6-dioxo-1,3-dioxane-5,5-diyl)dipropanoate (CAS 2070015-38-0)
- 4-(Trifluoromethoxy)isophthalonitrile (CAS 1020063-01-7)
- Atracurium Impurity 43 (CAS 1075727-00-2)
- 5,12-Dibromo-2,9-bis(2-decyltetradecyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone (CAS 909019-78-9)
- Allo-Thr5-Tirzepatide (CAS CATO-CPTD788934)
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