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4-Methoxy-3,3'-dimethylbenzophenon
Methoxyphenon · NK-049 · PREMTEN · KAYAMETONE · Methoxyphenone · Brexpiprazole Impurity 121 · HEXACONAZOL PESTANAL, 100 MG · 4-METHOXY-3,3'-DIMETHYBENZOPHENONE
Identifikatoren & physikalische Daten
| CAS No. | 41295-28-7 |
|---|---|
| Summenformel | C16H16O2 |
| Durchschnittliche Molmasse | 240,3 g/mol |
| Monoisotopische Masse | 240,11502975 g/mol |
| SMILES | COc1ccc(C(=O)c2cccc(C)c2)cc1C |
| InChIKey | BWPYBAJTDILQPY-UHFFFAOYSA-N |
| PubChem CID | 38839 |
| ChEMBL | CHEMBL2272262 |
| ChEBI | CHEBI:82245 |
| EC No. | 255-300-6 |
| DTXSID | DTXSID80194279 |
| Lokaler Name | 4-Methoxy-3,3'-dimethylbenzophenon |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 287 |
| Schmelzpunkt | 62.25°C |
| Siedepunkt | 343.02°C (rough estimate) |
| Dichte | 1.0752 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly)2mg/L(20 ºC) |
| Aggregatzustand | Solid |
| Farbe | White to Pale Red |
| InChI | InChI=1S/C16H16O2/c1-11-5-4-6-13(9-11)16(17)14-7-8-15(18-3)12(2)10-14/h4-10H,1-3H3 |
| InChIKey | BWPYBAJTDILQPY-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(OC)C(C)=C1)(C1=CC=CC(C)=C1)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Methanone, (4-methoxy-3-methylphenyl)(3-methylphenyl)- |
| Hazard Classes and Categories | Aquatic Chronic 4 (100%) |
| Zollcode | 29143990 |
| RTECS-Nr. | PC4961000 |
Anwendungen & Verwendung
Verwenden
Methoxyphenone is a pesticidal compound, and it is used in preparation of Nitrones as herbicides.