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2-Methylindolin
2,3-Dihydro-2-methyl-1H-indole · PE-11 · NSC 65598 · 2-methyl-indolin · 2-METHYLINDOLINE · Indoline, 2-methyl- · 2-Methylindoline>2-Methyl-1H-indoline · α-Methyldihydroindole
Identifikatoren & physikalische Daten
| CAS No. | 6872-06-6 |
|---|---|
| Summenformel | C9H11N |
| Durchschnittliche Molmasse | 133,19 g/mol |
| Monoisotopische Masse | 133,08914936 g/mol |
| SMILES | CC1Cc2ccccc2N1 |
| InChIKey | QRWRJDVVXAXGBT-UHFFFAOYSA-N |
| PubChem CID | 23305 |
| ChEBI | CHEBI:166548 |
| EC No. | 229-971-0 |
| DTXSID | DTXSID70884339 |
| Lokaler Name | 2-Methylindolin |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 122 |
| Schmelzpunkt | -51 °C |
| Siedepunkt | 228-229 °C (lit.) |
| Dichte | 1.023 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.569(lit.) |
| Flammpunkt | 200 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform, Methanolnegligible |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 5.26±0.40(Predicted) |
| Wichte | 1.02 |
| Farbe | Clear yellow to brown |
| InChI | 1S/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7,10H,6H2,1H3 |
| InChIKey | QRWRJDVVXAXGBT-UHFFFAOYSA-N |
| SMILES | CC1Cc2ccccc2N1 |
| CAS Datenbank | 6872-06-6(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Methylindoline(6872-06-6) |
| EPA chemische Informationen | 1H-Indole, 2,3-dihydro-2-methyl- (6872-06-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 21.1% (16 of 76) of reports.WarningH302 (22.4%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (57.9%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (59.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (56.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (11.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 76 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 16 of 76 reports by companies.There are 12 notifications provided by 60 of 76 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: 1H-Indole, 2,3-dihydro-2-methyl-Status: Active Update: 18-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21863 |
| Hazard Classes and Categories | Acute Tox. 4 (22.4%)Skin Irrit. 2 (57.9%)Eye Irrit. 2 (59.2%)STOT SE 3 (56.6%)Aquatic Chronic 2 (11.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29349990 |
Anwendungen & Verwendung
Verwenden
2-Methylindoline is an intermediate in the production of various indole derivatives
Herstellung & Synthese
synthetische
2-Methylindoline is prepared through the transformation of 1-(2-aminophenyl)propan-2-ol using acidic catalysts[1]. 2-Methylindoline is also produced by the hydrogenation of 2-methylindole in toluene[2].