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1,1-Diphenylethylen
Ethene-1,1-diyldibenzene · 1,1-DIPHENYLETHENE · Diphenylethylene · DDNU · 1-BROMO-4-(DIETHOXYMETHYL)BENZENE · DKSI010 · 1,1-distyrene · alpha-Phenylstyrene
Identifikatoren & physikalische Daten
| CAS No. | 530-48-3 |
|---|---|
| Summenformel | C14H12 |
| Durchschnittliche Molmasse | 180,24 g/mol |
| Monoisotopische Masse | 180,09390038 g/mol |
| SMILES | C=C(c1ccccc1)c1ccccc1 |
| InChIKey | ZMYIIHDQURVDRB-UHFFFAOYSA-N |
| PubChem CID | 10740 |
| EC No. | 208-482-6 |
| DTXSID | DTXSID5060190 |
| Lokaler Name | 1,1-Diphenylethylen |
Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 160 |
| Stoffklassen | Other Classes -> Aromatic Hydrocarbons |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Liquidmp = 8.2 deg C[Merck Index] Yellow liquid[MSDSonline] |
| Schmelzpunkt | 6 °C (lit.) |
| Siedepunkt | 270-271 °C (lit.) |
| Dichte | 1.021 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.608(lit.) |
| Flammpunkt | 221 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to golden |
| Löslichkeit | Miscible with methanol, chloroform and ether. Insoluble in water. |
| Merck | 14,3323 |
| BRN | 1099062 |
| InChI | 1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2 |
| InChIKey | ZMYIIHDQURVDRB-UHFFFAOYSA-N |
| SMILES | C=C(c1ccccc1)c2ccccc2 |
| CAS Datenbank | 530-48-3(CAS DataBase Reference) |
| NIST chemische Informationen | Ethylene, 1,1-diphenyl-(530-48-3) |
| EPA chemische Informationen | Benzene, 1,1'-ethenylidenebis- (530-48-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.9% (1 of 116) of reports.DangerH304 (89.7%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]P261, P272, P273, P280, P301+P316, P302+P352, P321, P331, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 116 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1,1'-ethenylidenebis-Status: Active Update: 28-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13775Benzene, 1,1'-ethenylidenebis-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause irritationToxicity not fully known[MSDSonline] |
| Hazard Classes and Categories | Asp. Tox. 1 (89.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3082 9 / PGIII |
| Zollcode | 29029090 |
| Sicherheitshinweise (S) | 23-24/25 |
| Gefahrenklasse | 9Aquatic Chronic 2 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1,1-Diphenylethylene is used in the preparation of 2-chloro-1,1-diphenyl-ethene by reacting with benzeneseleninyl chloride and aluminum(III) chloride as reagents. It acts as an intermediate in organic synthesis as well as in pharmaceuticals.