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Indolin
2,3-DIHYDROINDOLE · Dihydroindole · 2,3-DIHYDRO-1H-INDOLE · 1H-Indole, 2,3-dihydro- · IDN · NDOLINE · INDOLINE · 1-Azaindan
Identifikatoren & physikalische Daten
| CAS No. | 496-15-1 |
|---|---|
| Summenformel | C8H9N |
| Durchschnittliche Molmasse | 119,16 g/mol |
| Monoisotopische Masse | 119,07349929 g/mol |
| SMILES | c1ccc2c(c1)CCN2 |
| InChIKey | LPAGFVYQRIESJQ-UHFFFAOYSA-N |
| PubChem CID | 10328 |
| ChEMBL | CHEMBL388803 |
| ChEBI | CHEBI:43295 |
| EC No. | 207-816-8 |
| DTXSID | DTXSID9052133 |
| Lokaler Name | Indolin |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 101 |
| Stoffklassen | Nitrogen Compounds -> IndolesDye |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Physical Description | Brown liquid[Alfa Aesar MSDS] |
| Collision Cross Section | 120.8 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID9052133] |
| Schmelzpunkt | -21 °C |
| Siedepunkt | 220-221 °C (lit.) |
| Dichte | 1.063 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.592(lit.) |
| Flammpunkt | 199 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | 5g/llnsoluble in water, soluble in alcohol and oils. Poorly soluble in Propylene glycol.5 g/L (20 ºC) |
| pKa (Säurekonstante) | 5.20±0.20(Predicted) |
| Aggregatzustand | liquid (clear) |
| Farbe | clear dark brown |
| Geruch | a mild, delicate, but extremely tenacious floral odor |
| BRN | 111915 |
| InChI | 1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2 |
| InChIKey | LPAGFVYQRIESJQ-UHFFFAOYSA-N |
| SMILES | C1Cc2ccccc2N1 |
| CAS Datenbank | 496-15-1(CAS DataBase Reference) |
| NIST chemische Informationen | 1H-Indole, 2,3-dihydro-(496-15-1) |
| EPA chemische Informationen | 1H-Indole, 2,3-dihydro- (496-15-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 18.2% (2 of 11) of reports.WarningH302 (54.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 11 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1H-Indole, 2,3-dihydro-1H-Indole, 2,3-dihydro-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritantToxic by ingestion[Alfa Aesar MSDS] See Indole. |
| Hazard Classes and Categories | Acute Tox. 4 (54.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29339990 |
| RTECS-Nr. | NL6906300 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 23-24/25-37/39-26 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
As an indole derivative, Indoline can be used in the preparation of various medicinal compounds such as potential α1-adrenoceptor (α1-AR) antagonists.