HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
1-ACETYL-2,3-DIHYDROINDOLE · 1-(indolin-1-yl)ethan-1-one · 1-acetyl-indolin · 1-Acetylindoline · N-ACETYL INDOLINE · Acetylindoline,N- · 1-ACETYLINDOLINE 98+% · 1-acetyl-2,3-dihydro-1h-indol
Identifikatoren & physikalische Daten
| CAS No. | 16078-30-1 |
|---|---|
| Summenformel | C10H11NO |
| Durchschnittliche Molmasse | 161,2 g/mol |
| Monoisotopische Masse | 161,08406397 g/mol |
| SMILES | CC(=O)N1CCc2ccccc21 |
| InChIKey | RNTCWULFNYNFGI-UHFFFAOYSA-N |
| PubChem CID | 27673 |
| ChEMBL | CHEMBL3274978 |
| EC No. | 881-370-8 |
| DTXSID | DTXSID10166984 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 190 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 102-104 °C(lit.) |
| Siedepunkt | 125-130 °C(Press: 1 Torr) |
| Dichte | 1.144±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 1.13±0.20(Predicted) |
| InChI | 1S/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3 |
| InChIKey | RNTCWULFNYNFGI-UHFFFAOYSA-N |
| SMILES | CC(=O)N1CCc2ccccc12 |
| CAS Datenbank | 16078-30-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933998090 |
| RTECS-Nr. | NM1892500 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
• ;Reactant for preparation of triazolothiadiazepine dioxide derivatives1• ;Reactant for preparation of halo-substituted aromatic amides2• ;Reactant for preparation of [[(phenyl)piperazinyl]alkyl]indolyl]ethanone and [[[(phenoxyethyl)piperazinyl]alkyl]indolyl]ethanone derivatives as α1-adrenoreceptor antagonists3• ;Reactant for synthesis of naphthalenedione derivatives as antimycobacterial agents4• ;Reactant for regioselective ortho Suzuki-Miyaura coupling reaction5