(E)-1-(6,7-Dichloro-2,3-dihydro-1,4-benzodioxin-5-yl)-3-(4-methoxyanilino)-2-propen-1-one CAS 860789-54-4
| CAS No. | 860789-54-4 |
| Molecular Formula | C18H15Cl2NO4 |
| Molecular Weight | 380.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), (E)-1-(6,7-Dichloro-2,3-dihydro-1,4-benzodioxin-5-yl)-3-(4-methoxyanilino)-2-propen-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.
(E)-1-(6,7-Dichloro-2,3-dihydro-1,4-benzodioxin-5-yl)-3-(4-methoxyanilino)-2-propen-1-one (CAS 860789-54-4), molecular formula C18H15Cl2NO4 and molecular weight 380.22 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of (E)-1-(6,7-Dichloro-2,3-dihydro-1,4-benzodioxin-5-yl)-3-(4-methoxyanilino)-2-propen-1-one (C18H15Cl2NO4) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C18H15Cl2NO4 |
| Molecular Weight | 380.22 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 2-(Benzylthio)-5-bromopyrimidin-4(3H)-one (CAS 125154-07-6)
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- 1-(Methylsulfonyl)-1,3-dihydro-2H-benzo[d]imidazol-2-imine (CAS 915922-50-8)
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