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2,5-Dimethyl-1H-indol
2,5-DIMETHYL-1H-INDOLE · 2,5-DIMETHYLINDOLE · 2,5-Dimethylindole>Indole, 2,5-dimethyl- · 2,5-Dimethylindole 97% · 2,5-Dimethylindole,97% · 8. 2,5-Dimethylindole - · 1H-Indole, 2,5-dimethyl-
Identifikatoren & physikalische Daten
| CAS No. | 1196-79-8 |
|---|---|
| Summenformel | C10H11N |
| Durchschnittliche Molmasse | 145,2 g/mol |
| Monoisotopische Masse | 145,08914935 g/mol |
| SMILES | Cc1ccc2[nH]c(C)cc2c1 |
| InChIKey | ZFLFWZRPMDXJCW-UHFFFAOYSA-N |
| PubChem CID | 70965 |
| EC No. | 214-816-1 |
| DTXSID | DTXSID30152521 |
| Lokaler Name | 2,5-Dimethyl-1H-indol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 144 |
| LogP (Verteilungskoeffizient) | 3.02 |
| Schmelzpunkt | 112-113 °C (lit.) |
| Siedepunkt | 254.33°C (rough estimate) |
| Dichte | 1.0353 (rough estimate) |
| Brechungsindex | 1.5000 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 17.75±0.30(Predicted) |
| Farbe | Off-white to pale pink or light brown |
| InChI | 1S/C10H11N/c1-7-3-4-10-9(5-7)6-8(2)11-10/h3-6,11H,1-2H3 |
| InChIKey | ZFLFWZRPMDXJCW-UHFFFAOYSA-N |
| SMILES | Cc1ccc2[nH]c(C)cc2c1 |
| CAS Datenbank | 1196-79-8(CAS DataBase Reference) |
| NIST chemische Informationen | 1H-indole, 2,5-dimethyl-(1196-79-8) |
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 43 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 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 37/38-41 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Reactant in stereoselective preparation of substituted indoles via rhodium-catalyzed enantioselective coupling reaction of indoles with diazo compoundsReactant in stereoselective synthesis of indolines via palladium-catalyzed asymmetric hydrogenation of unprotected indolesReactant in enantioselective synthesis of fluorene derivatives via Friedel-Crafts reactionsReactant in preparation of bis-indolyldihydroxybenzoquinones by addition indoles to dichlorobenzoquinone promoted by Bronsted acidReactant in reaction with hydroxypyrazolines