HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(3-Acetamidophenyl)boronic acid
3-AcetamidophenyL · RARECHEM AH PB 0113 · TIMTEC-BB SBB000203 · 3 - N-acetyl-boric acid · 3-Acetamidophenylboronicaci · 3-Acetaminophenylbornic acid · M-ACETAMIDOPHENYLBORONIC ACID · 3-ACETAMIDOPHENYLBORONIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 78887-39-5 |
|---|---|
| Summenformel | C8H10BNO3 |
| Durchschnittliche Molmasse | 178,98 g/mol |
| Monoisotopische Masse | 179,07537358 g/mol |
| SMILES | CC(=O)Nc1cccc(B(O)O)c1 |
| InChIKey | IBTSWKLSEOGJGJ-UHFFFAOYSA-N |
| PubChem CID | 157274 |
| EC No. | 671-843-5 |
| DTXSID | DTXSID1074678 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 69,6 |
|---|---|
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 186 |
| Schmelzpunkt | 135 °C (lit.) |
| Dichte | 1.23±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| pKa (Säurekonstante) | 8.04±0.10(Predicted) |
| Aggregatzustand | powder |
| Farbe | Light orange to Yellow to Green |
| BRN | 3278316 |
| InChI | 1S/C8H10BNO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11) |
| InChIKey | IBTSWKLSEOGJGJ-UHFFFAOYSA-N |
| SMILES | CC(=O)Nc1cccc(c1)B(O)O |
| CAS Datenbank | 78887-39-5(CAS DataBase Reference) |
| EPA chemische Informationen | Boronic acid, B-[3-(acetylamino)phenyl]- (78887-39-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 3-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29310095 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-36-26-37 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
suzuki reaction