HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(m-Aminophenyl)metaborsure
3-AMINOPHENYLBORONIC ACID · M-AMINOPHENYLBORONIC ACID · 3-Aminophenylboric Acid · 3-Boronoaniline · M-APBA · SKL739 · EOS-62214 · TIMTEC-BB SBB004197
Identifikatoren & physikalische Daten
| CAS No. | 30418-59-8 |
|---|---|
| Summenformel | C6H8BNO2 |
| Durchschnittliche Molmasse | 136,95 g/mol |
| Monoisotopische Masse | 137,0648089 g/mol |
| SMILES | Nc1cccc(B(O)O)c1 |
| InChIKey | JMZFEHDNIAQMNB-UHFFFAOYSA-N |
| PubChem CID | 92269 |
| ChEMBL | CHEMBL20852 |
| EC No. | 250-189-0 |
| DTXSID | DTXSID10867227 |
| Lokaler Name | (m-Aminophenyl)metaborsure |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 66,5 |
|---|---|
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 110 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 225 °C |
| Siedepunkt | 376.0±44.0 °C(Predicted) |
| Dichte | 1.23±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| Aggregatzustand | powder or crystals |
| pKa (Säurekonstante) | pK1: 4.46pK2: 8.81 (25°C) |
| Farbe | Off-white to light brown |
| Löslichkeit | Soluble in water (partly miscible). |
| InChI | InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2 |
| InChIKey | JMZFEHDNIAQMNB-UHFFFAOYSA-N |
| SMILES | B(C1=CC=CC(N)=C1)(O)O |
| CAS Datenbank | 30418-59-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.8%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29310095 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37/39-37 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Aminobenzeneboronic acid is a boronic acid with potential use for biochemical research,it ie also used for suzuki reaction.