3-(2-(4-((3,4-Dichlorobenzyl)oxy)phenyl)-2-oxoethoxy)-4-fluorobenzonitrile CAS 1246828-94-3
| CAS No. | 1246828-94-3 |
| Molecular Formula | C22H14Cl2FNO3 |
| Molecular Weight | 430.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(2-(4-((3,4-Dichlorobenzyl)oxy)phenyl)-2-oxoethoxy)-4-fluorobenzonitrile (CAS 1246828-94-3), molecular formula C22H14Cl2FNO3 and molecular weight 430.26 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-(2-(4-((3,4-Dichlorobenzyl)oxy)phenyl)-2-oxoethoxy)-4-fluorobenzonitrile (C22H14Cl2FNO3) 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).
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 | C22H14Cl2FNO3 |
| Molecular Weight | 430.26 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, keep sealed and dry |
| 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- N,N'-(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)bis(2,2,2-trifluoroacetamide) (CAS 341966-12-9)
- Methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate (CAS 14563-40-7)
- tert-Butyl 2-hydroxy-3-nitrobenzoate (CAS 889857-87-8)
- (2-Trityl-2H-tetrazol-5-yl)methanamine (CAS 886370-78-1)
- 4-Ethyl-3-((4-methylbenzyl)sulfonyl)-5-((3-(trifluoromethyl)phenoxy)methyl)-4H-1,2,4-triazole (CAS 383146-82-5)
- 1-(2-Methylallyl)-1H-imidazole (CAS 87266-35-1)
- 1-(4-Ethylbenzyl)-1h-imidazol-2-amine (CAS 1183934-08-8)
- Linderone (CAS 1782-79-2)
- 5-(tert-Butoxy)-2-fluorophenol (CAS 1243385-17-2)
- Oxacillin Impurity 48 (CAS CATO-C4X-232148)
- Semaglutide impurity 48 (CAS CATO-C4X-222648)
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