HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(2,3-Dihydro-1,4-benzodioxin-6-yl)boronic acid
2,3-Dihydro-1,4-benzodiox · 4-Bromo-2,28-diaminopyridine · 1,4-Benzodioxane-6-boronicaci · 1,4-benzodioxan-6-boronic acid · 1,4-BENZODIOXANE-6-BORONIC ACID · 3,4-(Ethylenedioxy)phenylboronic · 6-(1,4-Benzodioxanyl)boronic acid · Benzo-1,4-dioxane-6-boronic acid,
Identifikatoren & physikalische Daten
| CAS No. | 164014-95-3 |
|---|---|
| Summenformel | C8H9BO4 |
| Durchschnittliche Molmasse | 179,97 g/mol |
| Monoisotopische Masse | 180,0593889 g/mol |
| SMILES | OB(O)c1ccc2c(c1)OCCO2 |
| InChIKey | SQDUGGGBJXULJR-UHFFFAOYSA-N |
| PubChem CID | 2776178 |
| EC No. | 625-755-9 |
| DTXSID | DTXSID00379869 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 58,9 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 176 |
| Schmelzpunkt | 187 °C |
| Siedepunkt | 361.0±52.0 °C(Predicted) |
| Dichte | 1.35±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 8.52±0.20(Predicted) |
| Farbe | white to off-white |
| BRN | 7478648 |
| InChI | InChI=1S/C8H9BO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5,10-11H,3-4H2 |
| InChIKey | SQDUGGGBJXULJR-UHFFFAOYSA-N |
| SMILES | B(C1=CC=C2OCCOC2=C1)(O)O |
| CAS Datenbank | 164014-95-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| TSCA-Inventar-Status | No |
| Zollcode | 29163990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Reactant involved in:Addition reactions with 1,8-naphthyridine N-oxidesIodocyclization and palladium-catalyzed coupling reactions for synthesis of pyranoquinolinesSuzuki coupling reactions for synthesis of combretastatin analogsSuzuki-Miyaura coupling reactions for synthesis of aryl-substituted oxabenzindoles and methanobenzindolesPalladium-catalyzed oxyarylation of Heck reaction intermediatesC-H functionalization of quinones