HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
α-Methoxyacetophenon
2-methoxy-1-phenylethan-1-one · 2-Methoxyacetophenone · 1-METHOXYACETOPHENONE · ALPHA-METHOXY ACETOPHENONE · (Methoxymethyl)phenyl ketone · Ethanone, 2-Methoxy-1-phenyl-
Identifikatoren & physikalische Daten
| CAS No. | 4079-52-1 |
|---|---|
| Summenformel | C9H10O2 |
| Durchschnittliche Molmasse | 150,17 g/mol |
| Monoisotopische Masse | 150,06807956 g/mol |
| SMILES | COCC(=O)c1ccccc1 |
| InChIKey | YRNDGUSDBCARGC-UHFFFAOYSA-N |
| PubChem CID | 77698 |
| ChEBI | CHEBI:52400 |
| EC No. | 223-802-4 |
| DTXSID | DTXSID90193778 |
| Lokaler Name | α-Methoxyacetophenon |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 126 |
| Schmelzpunkt | 7-8 °C (lit.) |
| Siedepunkt | 122-123 °C/18 mmHg (lit.) |
| Dichte | 1.09 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.5365(lit.) |
| Flammpunkt | 215 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | liquid |
| Wichte | 1.090 |
| InChI | 1S/C9H10O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChIKey | YRNDGUSDBCARGC-UHFFFAOYSA-N |
| SMILES | COCC(=O)c1ccccc1 |
| CAS Datenbank | 4079-52-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Methoxy-1-phenylethan-1-one is used as a reactant in the preparation of diarylpyrazoles as cyclooxygenase 2 inhibitors.