HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(Phenylmethoxy)-1H-indol
NSC 92539 · 4-BENZYLOXYINDOLE · 4-BENZYLOXYLINDOLE · 4-Benzyloxyindole>4-BENZYLOXYINDOLE 98% · 4-BENZYLOXY-1H-INDOLE · 4-Benzyloxyindole,99% · 4-Benzyloxyindole ,98% · 4-(phenylmethoxy)-1h-indole
Identifikatoren & physikalische Daten
| CAS No. | 20289-26-3 |
|---|---|
| Summenformel | C15H13NO |
| Durchschnittliche Molmasse | 223,27 g/mol |
| Monoisotopische Masse | 223,09971404 g/mol |
| SMILES | c1ccc(COc2cccc3[nH]ccc23)cc1 |
| InChIKey | LJFVSIDBFJPKLD-UHFFFAOYSA-N |
| PubChem CID | 88465 |
| ChEMBL | CHEMBL6151586 |
| ChEBI | CHEBI:231221 |
| EC No. | 243-690-0 |
| DTXSID | DTXSID60174155 |
| Lokaler Name | 4-(Phenylmethoxy)-1H-indol |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 25 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 237 |
| Schmelzpunkt | 57-61 °C (lit.) |
| Siedepunkt | 364.56°C (rough estimate) |
| Dichte | 1.0707 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 17.17±0.30(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Beige to Brown |
| BRN | 183150 |
| InChI | InChI=1S/C15H13NO/c1-2-5-12(6-3-1)11-17-15-8-4-7-14-13(15)9-10-16-14/h1-10,16H,11H2 |
| InChIKey | LJFVSIDBFJPKLD-UHFFFAOYSA-N |
| SMILES | N1C2=C(C(OCC3=CC=CC=C3)=CC=C2)C=C1 |
| CAS Datenbank | 20289-26-3(CAS DataBase Reference) |
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 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Benzyloxyindole was used in the synthesis of 4-alkyloxy-aminoalkyl indole derivatives.