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2,3,3-Trimethyl-3H-indol
2,3,3-TRIMETHYL-3H-INDOLE · Indolenine · 2,3,3-Trimethylindoline · 2,3,3-TRIMETHYLINDOLE · enine · TRIMETHYLINDOLENINE · JACS-1640-39-7 · 2,3,3-TrimethyL
Identifikatoren & physikalische Daten
| CAS No. | 1640-39-7 |
|---|---|
| Summenformel | C11H13N |
| Durchschnittliche Molmasse | 159,23 g/mol |
| Monoisotopische Masse | 159,10479942 g/mol |
| SMILES | CC1=Nc2ccccc2C1(C)C |
| InChIKey | FLHJIAFUWHPJRT-UHFFFAOYSA-N |
| PubChem CID | 15427 |
| ChEMBL | CHEMBL2393311 |
| EC No. | 216-685-6 |
| DTXSID | DTXSID9049403 |
| Lokaler Name | 2,3,3-Trimethyl-3H-indol |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 215 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| Physical Description | Yellow or orange liquidmp = 6-8 deg C[Alfa Aesar MSDS] |
| Schmelzpunkt | 6-8°C |
| Siedepunkt | 228-229 °C744 mm Hg(lit.) |
| Dichte | 0.992 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.549(lit.) |
| Flammpunkt | 200 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in chloroform, toluene or dichlorobenzene. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 6.33±0.40(Predicted) |
| Farbe | Clear yellow to red-brown |
| BRN | 119740 |
| InChI | InChI=1S/C11H13N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h4-7H,1-3H3 |
| InChIKey | FLHJIAFUWHPJRT-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C(C)(C)C=1C |
| CAS Datenbank | 1640-39-7(CAS DataBase Reference) |
| NIST chemische Informationen | 3H-Indole, 2,3,3-trimethyl-(1640-39-7) |
| EPA chemische Informationen | 3H-Indole, 2,3,3-trimethyl- (1640-39-7) |
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 54 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 3H-Indole, 2,3,3-trimethyl-Status: Active Update: 20-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23130 |
| Gefahrenübersicht | An irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,3,3-Trimethylindolenine is an indole derivative used in the preparation of cyanine dye labelleing reagents and other imaging agents.