HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(2-Bromethyl)-1H-indol
3-(2-BROMOETHYL)-1H-INDOLE · 3-(2-BroMoeth · Piroctone Impurity 4 · 3-(2-Bromoethyl)indole · INDOLYL-3-ETHYL-B-BROMIDE · 3-(2-BroMoethyl)indole 97% · Indolyl-3-(ethyl--bromide) · 2-(3-Indolyl)ethyl BroMide
Identifikatoren & physikalische Daten
| CAS No. | 3389-21-7 |
|---|---|
| Summenformel | C10H10BrN |
| Durchschnittliche Molmasse | 224,1 g/mol |
| Monoisotopische Masse | 222,99966142 g/mol |
| SMILES | BrCCc1c[nH]c2ccccc12 |
| InChIKey | NTLAICDKHHQUGC-UHFFFAOYSA-N |
| PubChem CID | 76924 |
| ChEMBL | CHEMBL87532 |
| EC No. | 222-219-2 |
| DTXSID | DTXSID10187513 |
| Lokaler Name | 3-(2-Bromethyl)-1H-indol |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 149 |
| Schmelzpunkt | 97-99 °C (lit.) |
| Siedepunkt | 343.5±17.0 °C(Predicted) |
| Dichte | 1.515±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | chloroform: soluble25mg/mL, clear, yellow |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 16.96±0.30(Predicted) |
| Farbe | Orange-red to red |
| InChI | InChI=1S/C10H10BrN/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2 |
| InChIKey | NTLAICDKHHQUGC-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C(CCBr)=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (95.2%): 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 42 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 (95.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339980 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-(2-Bromoethyl)indole may be used in the synthesis of:β-carboline derivatives6,7-dihydro-12H-indolo[2,3-a] pyridocolinium bromideN-(2-(3-indolyl)ethyl)aza-12-crown-4N-(2-(3-Indolyl)ethyl)aza-15-crown-5N-(2-(3-Indolyl)ethyl)aza-18-crown-6