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5-Bromindol
5-BROMO-1H-INDOLE · 5-BI · SW-43 · SWF-43 · B2310G25 · 5-Bromindole · 5-BROMOINDOLE · 5-bromonindole
Identifikatoren & physikalische Daten
| CAS No. | 10075-50-0 |
|---|---|
| Summenformel | C8H6BrN |
| Durchschnittliche Molmasse | 196,04 g/mol |
| Monoisotopische Masse | 194,96836129 g/mol |
| SMILES | Brc1ccc2[nH]ccc2c1 |
| InChIKey | VXWVFZFZYXOBTA-UHFFFAOYSA-N |
| PubChem CID | 24905 |
| ChEMBL | CHEMBL325917 |
| ChEBI | CHEBI:232364 |
| EC No. | 233-208-7 |
| DTXSID | DTXSID6073996 |
| Lokaler Name | 5-Bromindol |
Chemische & physikalische Eigenschaften
| XLogP | 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 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Schmelzpunkt | 90-92 °C (lit.) |
| Siedepunkt | 228.5°C (rough estimate) |
| Dichte | 1.5466 (rough estimate) |
| Brechungsindex | 1.6550 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | 126mg/l (calculated) |
| Aggregatzustand | Powder or Chunks |
| pKa (Säurekonstante) | 16.04±0.30(Predicted) |
| Farbe | White to light brown |
| BRN | 112877 |
| InChI | InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H |
| InChIKey | VXWVFZFZYXOBTA-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=C(Br)C=C2)C=C1 |
| CAS Datenbank | 10075-50-0(CAS DataBase Reference) |
| EPA chemische Informationen | 1H-Indole, 5-bromo- (10075-50-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 13.6% (8 of 59) of reports.WarningH315 (86.4%): 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 59 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 25-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23422 |
| Hazard Classes and Categories | Skin Irrit. 2 (86.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-24/25-37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
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