HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Bromoindole
bromoindole · 6-BROMOINDOLE · 6-broMo-3H-indole · EOS-60560 · BROMOINDOLE-6 · 6-Bromoindole,96% · 6-Bromoindole,98% · 6-BROMO-1H-INDOLE
Identifikatoren & physikalische Daten
| CAS No. | 52415-29-9 |
|---|---|
| Summenformel | C8H6BrN |
| Durchschnittliche Molmasse | 196,04 g/mol |
| Monoisotopische Masse | 194,96836129 g/mol |
| SMILES | Brc1ccc2cc[nH]c2c1 |
| InChIKey | MAWGHOPSCKCTPA-UHFFFAOYSA-N |
| PubChem CID | 676493 |
| ChEMBL | CHEMBL3414692 |
| EC No. | 610-835-8 |
| DTXSID | DTXSID00350299 |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 126 |
| Schmelzpunkt | 92-96 °C (lit.) |
| Siedepunkt | 70-75°C 0,01mm |
| Dichte | 1.660±0.06 g/cm3(Predicted) |
| Flammpunkt | 70-75°C/0.01mm |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 16.07±0.30(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White to brown |
| BRN | 112711 |
| InChI | InChI=1S/C8H6BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H |
| InChIKey | MAWGHOPSCKCTPA-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC(Br)=C2)C=C1 |
| CAS Datenbank | 52415-29-9(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 48 reports by companies from 8 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) | 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
6-Bromoindole is a starting material in the synthesis of various indole derivatives.