HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Hydroxyindol
1H-INDOL-5-OL · 5-INDOLOL · 5-Hydroxyindoline · NSC 87503 · INDOL-5-OL · 5-hdroxyindole · 5-HYDROXYINDOLE · hydroxy-5indole
Identifikatoren & physikalische Daten
| CAS No. | 1953-54-4 |
|---|---|
| Summenformel | C8H7NO |
| Durchschnittliche Molmasse | 133,15 g/mol |
| Monoisotopische Masse | 133,05276384 g/mol |
| SMILES | Oc1ccc2[nH]ccc2c1 |
| InChIKey | LMIQERWZRIFWNZ-UHFFFAOYSA-N |
| PubChem CID | 16054 |
| ChEMBL | CHEMBL404923 |
| ChEBI | CHEBI:89649 |
| EC No. | 217-782-6 |
| DTXSID | DTXSID00173187 |
| Lokaler Name | 5-Hydroxyindol |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 36 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 126 |
| Schmelzpunkt | 106-108 °C(lit.) |
| Siedepunkt | 245.66°C (rough estimate) |
| Dichte | 1.1475 (rough estimate) |
| Brechungsindex | 1.5260 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | 38g/l |
| Aggregatzustand | Crystalline Needles or Powder |
| pKa (Säurekonstante) | 9.98±0.40(Predicted) |
| Farbe | beige |
| BRN | 112349 |
| InChI | InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H |
| InChIKey | LMIQERWZRIFWNZ-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=C(O)C=C2)C=C1 |
| CAS Datenbank | 1953-54-4(CAS DataBase Reference) |
| NIST chemische Informationen | Indol-5-ol(1953-54-4) |
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 47 reports by companies from 7 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 | 29339990 |
| RTECS-Nr. | NM2430000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANT, KEEP COLD |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Das 5-Hydroxyindol bildet farblose, wasserunlösliche, lichtempfindliche Kristalle. Die Substanz wird zur labormäßigen Totalsynthese des Krötengiftes Bufotenin verwendet.