HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5,6-Bis(phenylmethoxy)-1H-indole
5,6-Bis(benzyloxy)-1H-indole · NSC 83220 · 5,6-dibenzyloxy-indol · 5,6-Dibenzyloxyindole · 5,6-bis(benzyloxy)indole · 5,6-Dibenzyloxyindole >=98% · 5,6-bis(phenylmethoxy)-1h-indol · 5,6-bis(phenylmethoxy)-1H-indole
Identifikatoren & physikalische Daten
| CAS No. | 4790-19-6 |
|---|---|
| Summenformel | C22H19NO2 |
| Durchschnittliche Molmasse | 329,4 g/mol |
| Monoisotopische Masse | 329,14157885 g/mol |
| SMILES | c1ccc(COc2cc3cc[nH]c3cc2OCc2ccccc2)cc1 |
| InChIKey | JEUGWNYIRZKHDS-UHFFFAOYSA-N |
| PubChem CID | 20920 |
| EC No. | 692-985-4 |
| DTXSID | DTXSID00197328 |
Chemische & physikalische Eigenschaften
| XLogP | 5 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 389 |
| Schmelzpunkt | 114-115℃ |
| Siedepunkt | 525℃ |
| Dichte | 1.214 |
| Flammpunkt | 185℃ |
| Lagerbedingungen | -20°C |
| pKa (Säurekonstante) | 16.80±0.30(Predicted) |
| Aggregatzustand | solid |
| InChI | 1S/C22H19NO2/c1-3-7-17(8-4-1)15-24-21-13-19-11-12-23-20(19)14-22(21)25-16-18-9-5-2-6-10-18/h1-14,23H,15-16H2 |
| InChIKey | JEUGWNYIRZKHDS-UHFFFAOYSA-N |
| SMILES | C(Oc1cc2cc[nH]c2cc1OCc3ccccc3)c4ccccc4 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 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 |
| RTECS-Nr. | NL6150000 |
| R-Sätze (R) | 37/38-41 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Reactant for preparation of:CB2 Cannabinoid Receptor ligandsPotent c-ABL inhibitorsA potent antioxidant agent occuring naturally in beetroot