HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 231111Erstellt: 27. Oktober 2026
1,2-Bis(3,4-dimethoxyphenyl)ethanone
1,2-Bis(3,4-dimethoxyphenyl)ethan-1-one · Ethanone, 1,2-bis(3,4-dimethoxyphenyl)- · 3-(2-benzothiazol-2-yl-2-cyano-ethenyl)-1-prop-2-enyl-thiourea
https://huagongshe.com/de/chemical/231111
Identifikatoren & physikalische Daten
| CAS No. | 4927-55-3 |
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| Summenformel | C18H20O5 |
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| Durchschnittliche Molmasse | 316,3 g/mol |
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| Monoisotopische Masse | 316,13107374 g/mol |
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| SMILES | COc1ccc(CC(=O)c2ccc(OC)c(OC)c2)cc1OC |
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| InChIKey | IBOFMJSGASGBOS-UHFFFAOYSA-N |
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| PubChem CID | 231111 |
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| DTXSID | DTXSID40964197 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
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| Polarare Oberfläche (TPSA) | 54 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 7 |
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| Schwere Atome | 23 |
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| Formalladung | 0 |
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| Komplexität | 372 |
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| Schmelzpunkt | 107°C |
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| Siedepunkt | 240-270 °C(Press: 1.0 Torr) |
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| Dichte | 1.139±0.06 g/cm3(Predicted) |
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Sicherheit & Vorschriften
| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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Herstellung & Synthese
synthetische
Preparation by the reduction of veratril with tin and hydrochloric acid Also obtained by treatment of veratroin with zinc powder in methanol and acetic acid mixture on a boiling water bath for 1–2 h Also obtained by treatment of veratril in ethanol with granulated tin and a satu-rated copper sulfate solution in the presence of concentrated hydrochloric acid on a boiling water bath for 4 h Also obtained by reaction of homoveratroyl chloride (3,4-dimethoxypheny-lacetyl chloride) with veratrole in the presence of aluminium chloridein refluxing carbon disulfide (31%) [ 6249] for 2 h in refluxing methylene chloride for 2 h (98%).
