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2,7-Dibromo-9,9-di-n-octylfluorene
9,9-DioctyL · CAS:198964-46-4 · DSK Innosciences · 9,9-Dioctyl-2,7-dibroMof · 9,9-Dioctyl-2,7-dibroMoflurene · 9,9-Dioctyl-2,7-dibromofluorene · 9,9-Dioctyl-2,7-diformylfluorne · 9,9-DioCLyl-2,7-DibroMofluorene
Identifikatoren & physikalische Daten
| CAS No. | 198964-46-4 |
|---|---|
| Summenformel | C29H40Br2 |
| Durchschnittliche Molmasse | 548,4 g/mol |
| Monoisotopische Masse | 546,14967548 g/mol |
| SMILES | CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21 |
| InChIKey | CYKLQIOPIMZZBZ-UHFFFAOYSA-N |
| PubChem CID | 5215321 |
| EC No. | 679-876-7 |
| DTXSID | DTXSID60410565 |
Chemische & physikalische Eigenschaften
| XLogP | 13,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 14 |
| Schwere Atome | 31 |
| Formalladung | 0 |
| Komplexität | 445 |
| Schmelzpunkt | 59-63 °C (lit.) |
| Siedepunkt | 567.2±43.0 °C(Predicted) |
| Dichte | 1.212±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | solid |
| Farbe | White to Almost white |
| InChI | 1S/C29H40Br2/c1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29/h15-18,21-22H,3-14,19-20H2,1-2H3 |
| InChIKey | CYKLQIOPIMZZBZ-UHFFFAOYSA-N |
| SMILES | CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c3ccc(Br)cc13 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 29039990 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 22-24/25-36/37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
It can be used as an intermediate for polymeric light-emitting diodes or pharmaceutical intermediates. It can also be used as a raw material for microwave-assisted reaction.
Verwenden
9,9-Dioctyl-2,7-dibromofluorene is a reactant in the synthesis of 5,5''-(9,9-dioctyl-9H-fluorene-2,7-diyl)bis(thiophene-2-carbaldehyde), a donor-acceptor type photoelectrical material used in organic light-emitting diodes (OLEDs), organic photovoltaic (OPVs) and organic field-effect transistors (OFETs).