HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 137928Erstellt: 27. Oktober 2026
1H-Indole, 6-methyl-
6-METHYL-1H-INDOLE · CP085029-1 · 6-Methyindole · 6-Metlylindole · AKOS JY2082811 · 6-METHYLINDOLE · Indole, 6-methyl- · 6-Methylindole>6-Methylindole,99%
https://huagongshe.com/de/chemical/137928
Identifikatoren & physikalische Daten
| CAS No. | 3420-02-8 |
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| Summenformel | C9H9N |
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| Durchschnittliche Molmasse | 131,17 g/mol |
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| Monoisotopische Masse | 131,07349929 g/mol |
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| SMILES | Cc1ccc2cc[nH]c2c1 |
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| InChIKey | ONYNOPPOVKYGRS-UHFFFAOYSA-N |
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| PubChem CID | 137928 |
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| ChEBI | CHEBI:229031 |
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| EC No. | 625-234-6 |
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| DTXSID | DTXSID00187789 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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| Polarare Oberfläche (TPSA) | 15,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 0 |
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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 | 122 |
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| Schmelzpunkt | 29-32°C |
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| Siedepunkt | 112 °C/5 mmHg (lit.) |
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| Dichte | 1.059 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.607(lit.) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
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| pKa (Säurekonstante) | 17.36±0.30(Predicted) |
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| Aggregatzustand | Liquid After Melting |
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| Wichte | 1.059 |
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| Farbe | Clear yellow to light brown |
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| Löslichkeit | Insoluble in water. |
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| BRN | 109708 |
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| InChI | 1S/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H3 |
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| InChIKey | ONYNOPPOVKYGRS-UHFFFAOYSA-N |
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| SMILES | Cc1ccc2cc[nH]c2c1 |
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| LogP (Verteilungskoeffizient) | 2.600 (est) |
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| CAS Datenbank | 3420-02-8(CAS DataBase Reference) |
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| NIST chemische Informationen | 1H-Indole, 6-methyl-(3420-02-8) |
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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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3334 |
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| Zollcode | 29339900 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Light Sensitive/Irritant/Keep Cold |
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| Sicherheitshinweise (S) | 26-36 |
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| Gefahrenklasse | IRRITANT, LIGHT SENSITIVEEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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Anwendungen & Verwendung
Verwenden
6-Methylindole was used in the synthesis of benz[c,d]indol-3(1H)-one derivatives. Reactant for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulatorsReactant for preparation of indole linked triazole derivatives as antifungal agentsReactant for preparation of N-β-D-xylosyl-indole derivatives as SGLT2 inhibitors for management of hyperglycemia in diabetesReactant for preparation of aminoguanidine derivatives of arylsulfonylacylindoles as antifungal agentsReactant for preparation of indolylindazoles and indolylpyrazolopyridines as interleukin-2 inducible T cell kinase inhibitorsReactant for preparation of arylsulfonylacetylindoles as anti-HIV-1 agents
