3,5-Dichlorophenyl (2E)-3-(6-bromo-2H-1,3-benzodioxol-5-yl)prop-2-enoate CAS 478259-16-4
| CAS No. | 478259-16-4 |
| Molecular Formula | C16H9BrCl2O4 |
| Molecular Weight | 416.05 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 3,5-Dichlorophenyl (2E)-3-(6-bromo-2H-1,3-benzodioxol-5-yl)prop-2-enoate (CAS 478259-16-4), a certified reference material (molecular formula C16H9BrCl2O4, MW 416.05 g/mol) for analytical method development and quality control.
The molecular framework of 3,5-Dichlorophenyl (2E)-3-(6-bromo-2H-1,3-benzodioxol-5-yl)prop-2-enoate (C16H9BrCl2O4) is characterized by a flavonoid core, a hydroxyl group, an ether linkage, chlorine/bromine 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. 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 | C16H9BrCl2O4 |
| Molecular Weight | 416.05 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl/Br-containing |
Related Dichlorophenyl Standards
- 3,4-Dichlorophenyl (2E)-3-(6-bromo-2H-1,3-benzodioxol-5-yl)prop-2-enoate (CAS 478259-10-8)
- 3-(2,6-Dichlorophenyl)-N-(3,5-dichlorophenyl)-5-methylisoxazole-4-carboxamide (CAS 153948-37-9)
- 1-(2,5-Dichlorophenyl)-N-(3,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide (CAS 338407-91-3)
- Methyl 1-(2,4-dichlorophenyl)-5-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylate (CAS 318256-20-1)
- Methyl 1-(2,5-dichlorophenyl)-5-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylate (CAS 318256-16-5)
- Methyl 5-(3,4-dichlorophenyl)-1-(3,5-dichlorophenyl)-1H-pyrazole-3-carboxylate (CAS 318256-23-4)
- N-(2,3-Dichlorophenyl)-1-(3,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide (CAS 338408-90-5)
- N-(2,4-Dichlorophenyl)-1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide (CAS 338398-31-5)
Recommended Standards
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- 3-Bromo-4-((4-bromobenzyl)oxy)-5-methoxybenzoic acid (CAS 1153461-81-4)
- tert-Butyl (5-bromo-4-fluoro-2-iodophenyl)carbamate (CAS 2680796-93-2)
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- T-Peptide (CAS 2022956-62-1)
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