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2-Methoxyphenylboronic acid
(2-Methoxyphenyl)boranediol · 2-METHOXYBENZENEBORONIC ACID · DK766 · 0/9/20 · AKOS BRN-0014 · 2-Boronoanisole · RARECHEM AH PB 0181 · 2-Methoxyphenylboron
Identifikatoren & physikalische Daten
| CAS No. | 5720-06-9 |
|---|---|
| Summenformel | C7H9BO3 |
| Durchschnittliche Molmasse | 151,96 g/mol |
| Monoisotopische Masse | 152,06447455 g/mol |
| SMILES | COc1ccccc1B(O)O |
| InChIKey | ROEQGIFOWRQYHD-UHFFFAOYSA-N |
| PubChem CID | 2733958 |
| ChEMBL | CHEMBL348732 |
| EC No. | 611-481-7 |
| DTXSID | DTXSID40370057 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 49,7 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 118 |
| Schmelzpunkt | 105-110 °C (lit.) |
| Siedepunkt | 319.3±44.0 °C(Predicted) |
| Dichte | 1.17±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)Insoluble in water. |
| pKa (Säurekonstante) | 8.55±0.58(Predicted) |
| Aggregatzustand | Crystals or Crystalline Powder |
| Farbe | Off-white |
| BRN | 3030981 |
| InChI | InChI=1S/C7H9BO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3 |
| InChIKey | ROEQGIFOWRQYHD-UHFFFAOYSA-N |
| SMILES | B(C1=CC=CC=C1OC)(O)O |
| CAS Datenbank | 5720-06-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (15.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 13 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (15.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | No |
| Zollcode | 29163990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26-36 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
2-Methoxyphenylboronic acid is an arylboronic acid. Arylboronic acids can be widely used as safe and environmentally friendly new aromatization reagents for scientific research and production of various fine chemicals containing aryl structures, such as pharmaceuticals, pesticides, and advanced materials. The reactions of arylboronic acids with halogenates play a pivotal role in today's drug synthesis, and such reactions were pioneered by Japanese scientists Suzuki's team, which won the Nobel Prize in Chemistry in 2010.