(2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one CAS 478078-33-0
| CAS No. | 478078-33-0 |
| Molecular Formula | C20H18BrFN2O3 |
| Molecular Weight | 433.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 433.27 g/mol gives (2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one (CAS 478078-33-0) is a high-purity analytical reference standard with the molecular formula C20H18BrFN2O3 and a molecular weight of 433.27 g/mol.
Based on its molecular formula C20H18BrFN2O3, (2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 433.27 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
As a certified reference material (CRM), (2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]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 | C20H18BrFN2O3 |
| Molecular Weight | 433.27 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/Br-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 7-Bromo-1-methylisoquinoline (CAS 1416713-61-5)
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- 5-Methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid (CAS 91569-59-4)
- methyl quinoline-2-carboxylate hydrochloride (CAS 135709-62-5)
- (3-(Tert-butyl)-5-(pyridin-3-yl)phenyl)boronic acid (CAS 2225173-54-4)
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- Tert-butyl (2-(3-bromopyridin-2-yl)ethyl)carbamate (CAS 1404115-34-9)
- 1-(tert-Butyl)-2-cyclopropoxy-3-iodobenzene (CAS 1243445-04-6)
- Heme iron polypeptide(Hematin) (CAS 14875-96-8)
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