HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-hydroxy-5-methoxy-2,3-dihydro-1H-inden-1-one
NSC 3125 · NSC 31250 · Donepezil-022 · Donepezil Impurity 38 · 6-Hydroxy-5-methoxy-1-indanone · 6-hydroxy-5-methoxy-2,3-dihydroinden-1-one · 2,3-Dihydro-6-hydroxy-5-methoxy-1H-inden-1-one · 6-hydroxy-5-methoxy-2,3-dihydro-1h-inden-1-one
Identifikatoren & physikalische Daten
| CAS No. | 90843-62-2 |
|---|---|
| Summenformel | C10H10O3 |
| Durchschnittliche Molmasse | 178,18 g/mol |
| Monoisotopische Masse | 178,06299418 g/mol |
| SMILES | COc1cc2c(cc1O)C(=O)CC2 |
| InChIKey | FEUMSMHGLKFCLZ-UHFFFAOYSA-N |
| PubChem CID | 233148 |
| ChEMBL | CHEMBL2043047 |
| EC No. | 103-774-9 |
| DTXSID | DTXSID30283405 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 214 |
| Schmelzpunkt | 194 °C(Solv: water (7732-18-5)) |
| Siedepunkt | 378.7±42.0 °C(Predicted) |
| Dichte | 1.296±0.06 g/cm3(Predicted) |
| Löslichkeit | Acetone, Dichloromethane, Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.47±0.20(Predicted) |
| Farbe | Light-Brown |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
6-Hydroxy-5-methoxy-1-indanone (cas# 90843-62-2) is a compound useful in organic synthesis.