HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Acetyl-1H-indol-3-yl acetate
AKOS 92481 · AKOS AU36-M367 · 1,3-Diacetoxyindole · INDOXYL 1,3-DIACETATE · N,O-1,3-DIACETOXYINDOLE · 3-Indoxyl-1,3-diacetate · N-ACETYL-3-ACETOXYINDOLE · N-ACETYLINDOL-3-YL ACETATE
Identifikatoren & physikalische Daten
| CAS No. | 16800-67-2 |
|---|---|
| Summenformel | C12H11NO3 |
| Durchschnittliche Molmasse | 217,22 g/mol |
| Monoisotopische Masse | 217,07389321 g/mol |
| SMILES | CC(=O)Oc1cn(C(C)=O)c2ccccc12 |
| InChIKey | DNVFBLDIZKYQPL-UHFFFAOYSA-N |
| PubChem CID | 583602 |
| EC No. | 858-828-0 |
| DTXSID | DTXSID10864716 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 48,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 303 |
| Schmelzpunkt | 80 °C |
| Siedepunkt | 345.3±15.0 °C(Predicted) |
| Dichte | 1.21±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Chloroform, Ethyl Acetate, Methanol |
| Aggregatzustand | Solid |
| Farbe | Light Brown |
| InChI | InChI=1S/C12H11NO3/c1-8(14)13-7-12(16-9(2)15)10-5-3-4-6-11(10)13/h3-7H,1-2H3 |
| InChIKey | DNVFBLDIZKYQPL-UHFFFAOYSA-N |
| SMILES | C(=O)(N1C2=C(C=CC=C2)C(OC(C)=O)=C1)C |
| CAS Datenbank | 16800-67-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: 1-acetyl-1H-indol-3-yl acetate (EC: 858-828-0) |
| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
1,3-Diacetoxyindole is a useful synthetic intermediate.