HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 524508Erstellt: 27. Oktober 2026
6-Hydroxyindole
1H-INDOL-6-OL · INDOLOL · 6-INDOLOL · 6(1H)-indolol · 6-Hydroyindole · 6-HydroxyindoL · 6-HYDROXYINDOLE · 6-carboxylindoline
https://huagongshe.com/de/chemical/524508
Identifikatoren & physikalische Daten
| CAS No. | 2380-86-1 |
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| Summenformel | C8H7NO |
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| Durchschnittliche Molmasse | 133,15 g/mol |
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| Monoisotopische Masse | 133,05276384 g/mol |
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| SMILES | Oc1ccc2cc[nH]c2c1 |
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| InChIKey | XAWPKHNOFIWWNZ-UHFFFAOYSA-N |
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| PubChem CID | 524508 |
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| ChEMBL | CHEMBL2413822 |
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| EC No. | 417-020-4 |
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| DTXSID | DTXSID20178497 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
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| Polarare Oberfläche (TPSA) | 36 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 126 |
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| Kosmetika | Cosmetic ingredients (6-Hydroxyindole) -> CIR (Cosmetic Ingredient Review)Hair dyeing |
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| Schmelzpunkt | 125-128 °C |
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| Siedepunkt | 343.2±15.0 °C(Predicted) |
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| Dichte | 1.327±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,2-8°C |
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| Löslichkeit | Chloroform (Slightly, Heated), Methanol (Slightly) |
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| pKa (Säurekonstante) | 10.07±0.40(Predicted) |
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| Aggregatzustand | Shiny Crystalline Powder |
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| Farbe | White to off-white |
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| Kosmetik-Inhaltsstoffe Funktionen | HAIR DYEING |
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| InChI | InChI=1S/C8H7NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1-5,9-10H |
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| InChIKey | XAWPKHNOFIWWNZ-UHFFFAOYSA-N |
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| SMILES | N1C2=C(C=CC(O)=C2)C=C1 |
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| CAS Datenbank | 2380-86-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral] |
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| Regulatorische Informationen | Status: Active Update: 19-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33474 |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute Tox. 4 (95.3%)Acute toxicity - category 4Acute Tox. 4 * |
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| Toxizitätsübersicht | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3077 |
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| Zollcode | 29339900 |
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| R-Sätze (R) | 36/37/38-51/53-43-41-22 |
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| Gefahrensymbole | Xi,N,Xn |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 37/39-26-61-24-2 |
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| Gefahrenklasse | 9Acute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Sens. 1 |
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| Verpackungsgruppe | Ⅲ |
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| Lagerklasse | 11 - Combustible Solids |
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Anwendungen & Verwendung
Verwenden
Reactant for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulatorsReactant for asymmetrical synthesis of notoamide J as a potential biosynthetic precursor of prenylated indole alkaloidsReactant for preparation of (quinolinyloxymethyl)isoxazolecarboxylate esters antituberculosis agentsReactant for preparation of indolyl(propanolamine) derivatives as HIV inhibitorsReactant for preparation of indoleoxyacetic acid derivatives as peroxisome proliferator-activated receptor agonistsReactant for preparation of 1-aroylindole 3-aroylindoles combretastatin A-4 analogs as antitumor agents and tubulin polymerization inhibitors
