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4,4'-Dimethoxybenzil
ANISIL · 1,2-bis(4-methoxyphenyl)ethane-1,2-dione · P-ANISIL · DI-P-ANISOYL · Anisil, 98+% · p-Anisil >p-Anisil · P-P'-DIMETHOXYBENZIL · 4,4'-Dimethoxybenzil
Identifikatoren & physikalische Daten
| CAS No. | 1226-42-2 |
|---|---|
| Summenformel | C16H14O4 |
| Durchschnittliche Molmasse | 270,28 g/mol |
| Monoisotopische Masse | 270,08920893 g/mol |
| SMILES | COc1ccc(C(=O)C(=O)c2ccc(OC)cc2)cc1 |
| InChIKey | YNANGXWUZWWFKX-UHFFFAOYSA-N |
| PubChem CID | 71043 |
| ChEMBL | CHEMBL191513 |
| EC No. | 214-960-5 |
| DTXSID | DTXSID3061631 |
| Lokaler Name | 4,4'-Dimethoxybenzil |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 302 |
| SpringerMaterials Properties | Angular frequency |
| Schmelzpunkt | 132-134 °C(lit.) |
| Siedepunkt | 373.4°C (rough estimate) |
| Dichte | 1.2117 (rough estimate) |
| Brechungsindex | 1.5447 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO : 50 mg/mL (184.99 mM)Water : < 0.1 mg/mL (insoluble)Insoluble in water. |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | Yellow |
| BRN | 531345 |
| InChI | InChI=1S/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3 |
| InChIKey | YNANGXWUZWWFKX-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(OC)C=C1)(=O)C(C1=CC=C(OC)C=C1)=O |
| CAS Datenbank | 1226-42-2(CAS DataBase Reference) |
| EPA chemische Informationen | Anisil (1226-42-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Ethanedione, bis(4-methoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Eye Irrit. 2A (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29145090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-36/37-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Anisil is a biochemical utilized in the preparation of substituted bis(dithiolene)nickel complex. Further, it is used in the preparation of 3-[4,5-bis-(4-methoxy-phenyl)-1H-imidazol-2-yl]-pyridine by reacting with pyridine-3-carbaldehyde.