HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Isopropoxybenzeneboronic acid
AKOS BRN-0711 · CAS:216485-86-8 · 3-Isopropoxyphenylboronicaci · 3-isopropoxyphenylboronicaicd · 3-Isopropoxyphebylboronic acid · 3-ISOPROPOXYPHENYLBORONIC ACID · 3-ISOPROPOXYBENZENEBORONIC ACID · 3-Isopropoxybenzeneboronic acid 97%
Identifikatoren & physikalische Daten
| CAS No. | 216485-86-8 |
|---|---|
| Summenformel | C9H13BO3 |
| Durchschnittliche Molmasse | 180,01 g/mol |
| Monoisotopische Masse | 180,09577468 g/mol |
| SMILES | CC(C)Oc1cccc(B(O)O)c1 |
| InChIKey | UKZVUHVNTYDSOP-UHFFFAOYSA-N |
| PubChem CID | 5083932 |
| EC No. | 692-706-6 |
| DTXSID | DTXSID90408157 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 49,7 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 150 |
| Schmelzpunkt | 76-81 °C(lit.) |
| Siedepunkt | 331.5±44.0 °C(Predicted) |
| Dichte | 1.075 |
| Flammpunkt | 110 °C |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 8.24±0.10(Predicted) |
| Farbe | White to Light yellow |
| InChI | 1S/C9H13BO3/c1-7(2)13-9-5-3-4-8(6-9)10(11)12/h3-7,11-12H,1-2H3 |
| InChIKey | UKZVUHVNTYDSOP-UHFFFAOYSA-N |
| SMILES | CC(C)Oc1cccc(c1)B(O)O |
| CAS Datenbank | 216485-86-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29163990 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
suzuki reaction