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4,4'-Dimethoxybenzophenon
Dmbp · Bis(4-methoxyphenyl)methanone · Di-p-anisyl ketone · 4,4-Dimethoxybenzop · Bis(p-anisyl) ketone · Bis(4-anisyl) ketone · LABOTEST-BB LT00160175 · Di(4-methoxyphenyl) ketone
Identifikatoren & physikalische Daten
| CAS No. | 90-96-0 |
|---|---|
| Summenformel | C15H14O3 |
| Durchschnittliche Molmasse | 242,27 g/mol |
| Monoisotopische Masse | 242,09429431 g/mol |
| SMILES | COc1ccc(C(=O)c2ccc(OC)cc2)cc1 |
| InChIKey | RFVHVYKVRGKLNK-UHFFFAOYSA-N |
| PubChem CID | 7032 |
| ChEMBL | CHEMBL2413410 |
| EC No. | 202-028-0 |
| DTXSID | DTXSID50237985 |
| Lokaler Name | 4,4'-Dimethoxybenzophenon |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 235 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 141-143 °C (lit.) |
| Siedepunkt | 200 °C17 mm Hg(lit.) |
| Dichte | 1.1515 (rough estimate) |
| Brechungsindex | 1.5570 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)It is insoluble in water, soluble in ethanol. |
| Aggregatzustand | Powder |
| Farbe | Slightly beige to yellow |
| BRN | 1878026 |
| InChI | InChI=1S/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3 |
| InChIKey | RFVHVYKVRGKLNK-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(OC)C=C1)(C1=CC=C(OC)C=C1)=O |
| CAS Datenbank | 90-96-0(CAS DataBase Reference) |
| NIST chemische Informationen | P,p'-dimethoxybenzophenone(90-96-0) |
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)Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Methanone, bis(4-methoxyphenyl)-4,4'-Dimethoxybenzophenone: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29145000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4,4'-Dimethoxybenzophenone is used in the organic synthesis. It also acts as a pharmaceutical intermediate. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.
Herstellung & Synthese
synthetische
btained by photocatalytic oxidation of 4,4–′-dimethoxybenzhydrol (m.p. 69–71°) catalyzed by H3PW12O40/SiO2 in acetonitrile under oxygen atmosphere at r.t. for 1 h (90%).