HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(4-Methoxy-3-nitrophenyl)ethan-1-on
1-(4-METHOXY-3-NITROPHENYL)ETHAN-1-ONE · 3-NITRO-4-METHOXYACETOPHENONE · 1-(4-METHOXY-3-NITROPHENYL)ETHANONE · ASISCHEM D29251 · Einecs 228-476-7 · 4-Methoxy-3-nitroacetophenone · 4'-Methoxy-3'-nitroacetophenone · 4'-Methoxy-3'-nitroacetophenone 98%
Identifikatoren & physikalische Daten
| CAS No. | 6277-38-9 |
|---|---|
| Summenformel | C9H9NO4 |
| Durchschnittliche Molmasse | 195,17 g/mol |
| Monoisotopische Masse | 195,05315777 g/mol |
| SMILES | COc1ccc(C(C)=O)cc1[N+](=O)[O-] |
| InChIKey | VXLKYQQBEPCMJE-UHFFFAOYSA-N |
| PubChem CID | 80470 |
| EC No. | 228-476-7 |
| DTXSID | DTXSID90211840 |
| Lokaler Name | 1-(4-Methoxy-3-nitrophenyl)ethan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 235 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 97-100 °C(lit.) |
| Siedepunkt | 315.1±22.0 °C(Predicted) |
| Dichte | 1.244±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at room temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Yellow to Green |
| BRN | 646069 |
| InChI | 1S/C9H9NO4/c1-6(11)7-3-4-9(14-2)8(5-7)10(12)13/h3-5H,1-2H3 |
| InChIKey | VXLKYQQBEPCMJE-UHFFFAOYSA-N |
| SMILES | COc1ccc(cc1[N+]([O-])=O)C(C)=O |
| CAS Datenbank | 6277-38-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 2914790090 |
| Sicherheitshinweise (S) | 22-24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4′-Methoxy-3′-nitroacetophenone may be used to synthesize dimethylamino compound, via W2 Raney nickel catalyzed reductive methylation.
Herstellung & Synthese
synthetische
Preparation by reaction of acetyl chloride with 2-nitroanisole in the presence of aluminium chloride, in nitrobenzene at 0° ; in carbon disulfide.