HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(4'-Chlorobenzyloxy)phenylboronic acid
3-(4'-Chlorobenzyloxy)phenylboronic acid · Boronic acid, B-[3-[(4-chlorophenyl)methoxy]phenyl]- · 3-(4′-Chlorobenzyloxy)phenylboronic acid, CAS 870778-90-8
Identifikatoren & physikalische Daten
| CAS No. | 870778-90-8 |
|---|---|
| Summenformel | C13H12BClO3 |
| Durchschnittliche Molmasse | 262,5 g/mol |
| Monoisotopische Masse | 262,0568021 g/mol |
| SMILES | OB(O)c1cccc(OCc2ccc(Cl)cc2)c1 |
| InChIKey | TYILTVKJHDWCKU-UHFFFAOYSA-N |
| PubChem CID | 16217896 |
| EC No. | 623-439-5 |
| DTXSID | DTXSID40584632 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 49,7 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 244 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, 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) | 26-36 |
Anwendungen & Verwendung
Verwenden
3-(4''-Chlorobenzyloxy)phenylboronic acid