HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
10-Bromoanthracene-9-boronic acid
(10-broMoanthracen-9-yl)boronic acid · 9-Bromoanthracen-10-boronic acid · 10-Bromoanthracen-9-boronic acid · 10-Bromoanthracene-9-boronic acid · 9-Bromoanthracene-10-boronic acid · Boronic acid, B-(10-bromo-9-anthracenyl)- · 10-Bromoanthracene-9-boronic acid(contains varying amounts of Anhydride)
Identifikatoren & physikalische Daten
| CAS No. | 641144-16-3 |
|---|---|
| Summenformel | C14H10BBrO2 |
| Durchschnittliche Molmasse | 300,94 g/mol |
| Monoisotopische Masse | 299,99572206 g/mol |
| SMILES | OB(O)c1c2ccccc2c(Br)c2ccccc12 |
| InChIKey | FAVOIVPFJSKYBE-UHFFFAOYSA-N |
| PubChem CID | 16217487 |
| EC No. | 663-919-1 |
| DTXSID | DTXSID00584416 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 40,5 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 276 |
| Schmelzpunkt | 165-169 °C (lit.) |
| Siedepunkt | 525.3±42.0 °C(Predicted) |
| Dichte | 1.60±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 8.29±0.30(Predicted) |
| InChI | 1S/C14H10BBrO2/c16-14-11-7-3-1-5-9(11)13(15(17)18)10-6-2-4-8-12(10)14/h1-8,17-18H |
| InChIKey | FAVOIVPFJSKYBE-UHFFFAOYSA-N |
| SMILES | OB(O)c1c2ccccc2c(Br)c3ccccc13 |
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2931900090 |
| 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
Reactant for:Suzuki cross-coupling reactionsPalladium-catalyzed 1,4-addition reactions