HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(4-Methoxyphenyl)boronic acid
p-Anisylboronic acid · P-METHOXYPHENYLBORONIC ACID · p-methoxybenzeneboronic acid · 4-Methoxybenzeneboronic acid · AKOS 91312 · AKOS BRN-0016 · 4-boronoanisole · BIO-FARMA BF000847
Identifikatoren & physikalische Daten
| CAS No. | 5720-07-0 |
|---|---|
| Summenformel | C7H9BO3 |
| Durchschnittliche Molmasse | 151,96 g/mol |
| Monoisotopische Masse | 152,06447455 g/mol |
| SMILES | COc1ccc(B(O)O)cc1 |
| InChIKey | VOAAEKKFGLPLLU-UHFFFAOYSA-N |
| PubChem CID | 201262 |
| ChEMBL | CHEMBL21427 |
| EC No. | 611-482-2 |
| DTXSID | DTXSID60205837 |
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 | 110 |
| Schmelzpunkt | 204-206 °C(lit.) |
| Siedepunkt | 306.8±44.0 °C(Predicted) |
| Dichte | 1.17±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in dimethyl sulfoxide and methanol. |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 8.96±0.10(Predicted) |
| Farbe | White to light beige |
| BRN | 2936912 |
| InChI | InChI=1S/C7H9BO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3 |
| InChIKey | VOAAEKKFGLPLLU-UHFFFAOYSA-N |
| SMILES | B(C1=CC=C(OC)C=C1)(O)O |
| CAS Datenbank | 5720-07-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98.1%): 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 53 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (98.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | No |
| Zollcode | 29310095 |
| RTECS-Nr. | CY8975000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Methoxyphenylboronic acid can be used as a common organic reagent in Suzuki coupling reactions to study the N-arylation of imidazoles and amines catalyzed by copper exchange of calcium fluorophosphates.Reagent used in the preparation of various biological inhibitors.