HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Dibenzofuranamine
3-Dibenzofuranamine · 3-AMINODIBENZOFURAN · Dibenzofuran-3-amine · 3-Aminodibenzofuran 97% · 3-aminedibenzo[b,d]furan · 4106-66-5 3-AMINODIBENZOFURAN · JWH-018 Impurity 3（4-Hydroxyindole） · dibenzo[b,d]furan-3-amine hydrochloride
Identifikatoren & physikalische Daten
| CAS No. | 4106-66-5 |
|---|---|
| Summenformel | C12H9NO |
| Durchschnittliche Molmasse | 183,21 g/mol |
| Monoisotopische Masse | 183,06841391 g/mol |
| SMILES | Nc1ccc2c(c1)oc1ccccc12 |
| InChIKey | GHQCIALFYKYZGS-UHFFFAOYSA-N |
| PubChem CID | 20061 |
| ChEMBL | CHEMBL1622337 |
| EC No. | 809-248-1 |
| DTXSID | DTXSID3020411 |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 218 |
| Schmelzpunkt | 94°C |
| Siedepunkt | 316.88°C (rough estimate) |
| Dichte | 1.1261 (rough estimate) |
| Brechungsindex | 1.5880 (estimate) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.78±0.30(Predicted) |
| Farbe | Beige |
| InChI | InChI=1S/C12H9NO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H,13H2 |
| InChIKey | GHQCIALFYKYZGS-UHFFFAOYSA-N |
| SMILES | O1C2=CC=CC=C2C2=CC=C(N)C=C12 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 2922390090 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
3-Aminodibenzofuran is a building block used as a reactant in the preparaton of dibenzofuryl(phosphonomethyl)alanines as endothelin converting enzyme inhibitors.