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7-Methoxy-1,2,3,4-tetrahydronaphthalin-1-on
7-METHOXY-TETRALONE · 7-Methoxy-1-tetralon · 7-METHOXY-3,4-DIHYDRO-2H-NAPHTHALEN-1-ONE · 7-M · 7-Methoxy-1-t · Agomelatine-8 · 7-Methoxy-1-tetraL · Methoxy-1-tetralone
Identifikatoren & physikalische Daten
| CAS No. | 6836-19-7 |
|---|---|
| Summenformel | C11H12O2 |
| Durchschnittliche Molmasse | 176,21 g/mol |
| Monoisotopische Masse | 176,08372962 g/mol |
| SMILES | COc1ccc2c(c1)C(=O)CCC2 |
| InChIKey | GABLTKRIYDNDIN-UHFFFAOYSA-N |
| PubChem CID | 81276 |
| ChEMBL | CHEMBL5186804 |
| ChEBI | CHEBI:194932 |
| EC No. | 229-916-0 |
| DTXSID | DTXSID30218494 |
| Lokaler Name | 7-Methoxy-1,2,3,4-tetrahydronaphthalin-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 200 |
| Schmelzpunkt | 59-63 °C (lit.) |
| Siedepunkt | 160-165 C |
| Dichte | 1.124±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)309mg/L at 25℃ |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to beige |
| BRN | 2208389 |
| InChI | InChI=1S/C11H12O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7H,2-4H2,1H3 |
| InChIKey | GABLTKRIYDNDIN-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC(OC)=C2)CCC1 |
| LogP (Verteilungskoeffizient) | 2.68 |
| CAS Datenbank | 6836-19-7(CAS DataBase Reference) |
| NIST chemische Informationen | 7-Methoxy-1-tetralone(6836-19-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, 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. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 08-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21501 |
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29145090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
7-methoxy-1-tetralone was used in the synthesis of 2,7-dimethoxy-1-tetralone, substituted derivatives of 3a,4,5,6-tetrahydrosuccinimido[3,4-b]acenaphthen-10-one and 13H-benzo[6-7]indolo[3,2-c]quinolines.