Ethyl 2-benzoyl-4-(4-bromophenyl)-4-oxobutanoate CAS 29113-49-3
| CAS No. | 29113-49-3 |
| Molecular Formula | C19H17BrO4 |
| Molecular Weight | 389.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, Ethyl 2-benzoyl-4-(4-bromophenyl)-4-oxobutanoate (C19H17BrO4) contains a flavonoid core, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 389.24 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Ethyl 2-benzoyl-4-(4-bromophenyl)-4-oxobutanoate (CAS 29113-49-3) is a high-purity analytical reference standard with the molecular formula C19H17BrO4 and a molecular weight of 389.24 g/mol.
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.
As a certified reference material (CRM), Ethyl 2-benzoyl-4-(4-bromophenyl)-4-oxobutanoate 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 | C19H17BrO4 |
| Molecular Weight | 389.24 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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.) | 1965 |
| Halogen Content | Br-containing |
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