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trans,trans-1,4-Diphenyl-1,3-butadiene
DPB · 1,4-DIPHENYL-1,3-BUTADIENE · (1E,3E)-1,4-Diphenylbuta-1,3-diene · (E,E)-1,4-Diphenyl-1,3-butadiene · (1E,3E)-1,4-Diphenyl-1,3-butadiene · 1,3-Butadiene, 1,4-diphenyl-, (E,E)- · ll-trans-diphenylbutadiene · (1E,3E)-1,4-Diphenylbuta-1,3-diene98%
Identifikatoren & physikalische Daten
| CAS No. | 538-81-8 |
|---|---|
| Summenformel | C16H14 |
| Durchschnittliche Molmasse | 206,28 g/mol |
| Monoisotopische Masse | 206,10955045 g/mol |
| SMILES | C(/C=C/c1ccccc1)=C\c1ccccc1 |
| InChIKey | JFLKFZNIIQFQBS-FNCQTZNRSA-N |
| PubChem CID | 641683 |
| ChEMBL | CHEMBL198810 |
| ChEBI | CHEBI:51583 |
| EC No. | 629-554-7 |
| DTXSID | DTXSID3022459 |
Chemische & physikalische Eigenschaften
| XLogP | 5,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 198 |
| Schmelzpunkt | 150-152 °C(lit.) |
| Siedepunkt | 350 °C(lit.) |
| Dichte | 1.151 g/cm3 |
| Brechungsindex | 1.5000 (estimate) |
| Flammpunkt | 350°C/720mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Crystals or Crystalline Powder |
| Farbe | White to slightly yellow |
| Löslichkeit | Slightly soluble in water. |
| Merck | 14,3320 |
| BRN | 1905937 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+ |
| InChIKey | JFLKFZNIIQFQBS-FNCQTZNRSA-N |
| SMILES | C(/C1=CC=CC=C1)=C\C=C\C1=CC=CC=C1 |
| CAS Datenbank | 538-81-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | Yes |
| Zollcode | 29029000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
trans,trans-1,4-Diphenyl-1,3-butadiene reacts with Rieke metal complexes of barium and strontium to prepare metal-diene reagents, which is used for the carbocyclization with dichloroalkanes.