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(2-Methoxynaphthalen-1-yl)boronic acid
(2-Methoxynaphthalen-1-yl)boronic acid · 21MONBA · 1-(2-Methoxynaphthyl)boronic acid · 2-Methoxynaphtalene-1-boronic acid · (2-METHOXY-1-NAPHTHYL)BORONIC ACID · (2-Methoxy-1-Naphthyl)bornoic acid · 2-METHOXY-1-NAPHTHALENEBORONIC ACID · 2-Methoxynaphthalene-1-boronic acid
Identifikatoren & physikalische Daten
| CAS No. | 104116-17-8 |
|---|---|
| Summenformel | C11H11BO3 |
| Durchschnittliche Molmasse | 202,02 g/mol |
| Monoisotopische Masse | 202,08012461 g/mol |
| SMILES | COc1ccc2ccccc2c1B(O)O |
| InChIKey | NHVWTZOWDLOBBS-UHFFFAOYSA-N |
| PubChem CID | 4198751 |
| EC No. | 687-037-1 |
| DTXSID | DTXSID00400748 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 49,7 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 210 |
| Schmelzpunkt | 125-130°C |
| Siedepunkt | 425.2±47.0 °C(Predicted) |
| Dichte | 1.23±0.1 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | 8.53±0.30(Predicted) |
| Aggregatzustand | solid |
| Farbe | White |
| InChI | InChI=1S/C11H11BO3/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7,13-14H,1H3 |
| InChIKey | NHVWTZOWDLOBBS-UHFFFAOYSA-N |
| SMILES | B(C1=C2C(C=CC=C2)=CC=C1OC)(O)O |
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 39 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) | 3 |
| Zollcode | 2931900090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Reactant for:Design of phosphorus C,P-ligands for environmentally benign cross-coupling reactionsSterically hindered Suzuki-Miyaura couplingPalladium-catalyzed cross-coupling reactionsDeboronation homocoupling reactionsCopper-catalyzed N-arylation of imidazolesStereoselective preparation of biaryl compounds via palladium-catalyzed asymmetric Suzuki-Miyaura coupling