HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Chloro-2-methoxyphenylboronic acid
AKOS BRN-0073 · CHEMBRDG-BB 3200964 · RARECHEM AH PB 0263 · oro-2-methoxyphenyL · 5-Chloro-2-methoxyph · 5-Chloro-2-Methoxyphenylboroni · 4-Chloroanisole-2-boronic acid · 5-Chloro-2-methoxyphenylboronic
Identifikatoren & physikalische Daten
| CAS No. | 89694-48-4 |
|---|---|
| Summenformel | C7H8BClO3 |
| Durchschnittliche Molmasse | 186,4 g/mol |
| Monoisotopische Masse | 186,0255022 g/mol |
| SMILES | COc1ccc(Cl)cc1B(O)O |
| InChIKey | FMBVAOHFMSQDGT-UHFFFAOYSA-N |
| PubChem CID | 2735751 |
| EC No. | 618-292-9 |
| DTXSID | DTXSID90370921 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 49,7 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 145 |
| Schmelzpunkt | 134-141 °C(lit.) |
| Siedepunkt | 360.2±52.0 °C(Predicted) |
| Dichte | 1.32±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 7.58±0.58(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| InChI | InChI=1S/C7H8BClO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3 |
| InChIKey | FMBVAOHFMSQDGT-UHFFFAOYSA-N |
| SMILES | B(C1=CC(Cl)=CC=C1OC)(O)O |
| CAS Datenbank | 89694-48-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (90.9%): 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 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Status: Active Update: 27-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24437 |
| Hazard Classes and Categories | Skin Irrit. 2 (90.9%)Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29163990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Reactant for:• ;Boron-Heck arylation1• ;Suzuki-Miyaura reaction2