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4-Methoxybenzophenon
4-BENZOYLANISOLE · P-METHOXYBENZOPHENONE · NSC 2194 · p-Benzoylanisole · 4-Methoxydibenzoyl · phenylp-anisylketone · 4-METHOXYBENZOPHENONE · 4-methoxy-benzophenon
Identifikatoren & physikalische Daten
| CAS No. | 611-94-9 |
|---|---|
| Summenformel | C14H12O2 |
| Durchschnittliche Molmasse | 212,24 g/mol |
| Monoisotopische Masse | 212,08372962 g/mol |
| SMILES | COc1ccc(C(=O)c2ccccc2)cc1 |
| InChIKey | SWFHGTMLYIBPPA-UHFFFAOYSA-N |
| PubChem CID | 69146 |
| ChEMBL | CHEMBL198085 |
| EC No. | 210-285-5 |
| DTXSID | DTXSID00209995 |
| Lokaler Name | 4-Methoxybenzophenon |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 223 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 60-63 °C (lit.) |
| Siedepunkt | 354-356 °C (lit.) |
| Dichte | 1.1035 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Flammpunkt | 354-356°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | almost transparency in MethanolInsoluble in water. |
| Aggregatzustand | Crystalline Solid |
| Farbe | White to yellow-orange |
| BRN | 1104713 |
| InChI | InChI=1S/C14H12O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10H,1H3 |
| InChIKey | SWFHGTMLYIBPPA-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(OC)C=C1)(C1=CC=CC=C1)=O |
| CAS Datenbank | 611-94-9(CAS DataBase Reference) |
| NIST chemische Informationen | Methanone, (4-methoxyphenyl)phenyl-(611-94-9) |
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. |
|---|---|
| Regulatorische Informationen | Methanone, (4-methoxyphenyl)phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 29145000 |
| RTECS-Nr. | PC4962500 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Herstellung & Synthese
synthetische
Obtained by reaction of 4-methoxybenzoyl chloride with benzene in the presence –of aluminium chloride.