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5,6-Dimethoxy-1H-indol
5,6-DIMETHOXY-1H-INDOLE · AKOS JY2083477 · 5,6-DIMETHOXYINDOLE · 5,6-Dimethoxyindole,99% · 5,6-Dimethoxyindole 99% · 1H-Indole, 5,6-dimethoxy- · 5,6-Dimethoxy-1H-indole99% · 5,6-Dimethoxy-1H-indole 99%
Identifikatoren & physikalische Daten
| CAS No. | 14430-23-0 |
|---|---|
| Summenformel | C10H11NO2 |
| Durchschnittliche Molmasse | 177,2 g/mol |
| Monoisotopische Masse | 177,07897859 g/mol |
| SMILES | COc1cc2cc[nH]c2cc1OC |
| InChIKey | QODBZRNBPUPLEZ-UHFFFAOYSA-N |
| PubChem CID | 84431 |
| ChEMBL | CHEMBL109606 |
| EC No. | 238-402-5 |
| DTXSID | DTXSID40162671 |
| Lokaler Name | 5,6-Dimethoxy-1H-indol |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 174 |
| Schmelzpunkt | 154-157 °C (lit.) |
| Siedepunkt | 198°C 8mm |
| Dichte | 1.182±0.06 g/cm3(Predicted) |
| Flammpunkt | 198°C/8mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 16.93±0.30(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Beige |
| Löslichkeit | Insoluble in water. |
| BRN | 5683 |
| InChI | InChI=1S/C10H11NO2/c1-12-9-5-7-3-4-11-8(7)6-10(9)13-2/h3-6,11H,1-2H3 |
| InChIKey | QODBZRNBPUPLEZ-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=C(OC)C(OC)=C2)C=C1 |
| CAS Datenbank | 14430-23-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5,6-Dimethoxyindole is an indole derivative as analgesic antiinflammatory. It was used in the synthesis of N-benzyl-N-cyclopropyl-5,6-dimethoxyindole-3-glyoxalamide.