HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5,6-Dimethoxyindan-1-on
5,6-DIMETHOXYINDANONE · 2,3-Dihydro-5,6-dimethoxy-1H-inden-1-one · AB1007066 · AKOS 90805 · 5,6-Dimethoxy-1 · DiMethoxy-1-indan · 5,6-Dimethoxy-1-inda · Donepezil Impurity 25
Identifikatoren & physikalische Daten
| CAS No. | 2107-69-9 |
|---|---|
| Summenformel | C11H12O3 |
| Durchschnittliche Molmasse | 192,21 g/mol |
| Monoisotopische Masse | 192,07864424 g/mol |
| SMILES | COc1cc2c(cc1OC)C(=O)CC2 |
| InChIKey | IHMQOBPGHZFGLC-UHFFFAOYSA-N |
| PubChem CID | 75018 |
| ChEMBL | CHEMBL611356 |
| EC No. | 218-287-8 |
| DTXSID | DTXSID9057680 |
| Lokaler Name | 5,6-Dimethoxyindan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 227 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 118120°C |
| Siedepunkt | 139 °C / 2mmHg |
| Dichte | 1.1503 (rough estimate) |
| Brechungsindex | 1.4600 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Ethyl Acetate |
| Aggregatzustand | Solid |
| Farbe | Off-White to Pale Yellow |
| BRN | 1241095 |
| InChI | InChI=1S/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H3 |
| InChIKey | IHMQOBPGHZFGLC-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=C(OC)C(OC)=C2)CC1 |
| CAS Datenbank | 2107-69-9(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Indanone, 5,6-dimethoxy-,(2107-69-9) |
| EPA chemische Informationen | 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy- (2107-69-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 28.6% (2 of 7) of reports.WarningH302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Acute Tox. 4 (71.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2914390090 |
| R-Sätze (R) | 20/21/22-36/37/38-22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5,6-Dimethoxy-1-indanone can be an intermediate useful in the preparation of Donepezil.