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4,4'-Diacetylbiphenyl
BIS-ACETOPHENONE · -Diacetylbiphenyl · 4'-Diacetylbiphenyl · p,p'-Diacetyldiphenyl · 4',4''-BIACETOPHENONE · 4,4'-Diacetylbiphenyl · Daclatasvir Impurity-R · 4,4''-Diacetylbiphenyl
Identifikatoren & physikalische Daten
| CAS No. | 787-69-9 |
|---|---|
| Summenformel | C16H14O2 |
| Durchschnittliche Molmasse | 238,28 g/mol |
| Monoisotopische Masse | 238,09937969 g/mol |
| SMILES | CC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1 |
| InChIKey | YSTSBXDVNKYPTR-UHFFFAOYSA-N |
| PubChem CID | 301558 |
| EC No. | 625-368-5 |
| DTXSID | DTXSID80306719 |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 273 |
| SpringerMaterials Properties | Chemical structure |
| Schmelzpunkt | 193-195 °C(lit.) |
| Siedepunkt | 340.88°C (rough estimate) |
| Dichte | 1.0981 (rough estimate) |
| Brechungsindex | 1.6290 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Chloroform |
| Aggregatzustand | Crystalline Powder |
| Farbe | Colorless to light tan |
| InChI | InChI=1S/C16H14O2/c1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3 |
| InChIKey | YSTSBXDVNKYPTR-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(C(=O)C)C=C2)=CC=C(C(=O)C)C=C1 |
| CAS Datenbank | 787-69-9(CAS DataBase Reference) |
| NIST chemische Informationen | 4,4'-Diacetyl biphenyl(787-69-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (11.5%): 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, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (11.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3077 9/PG 3 |
| Zollcode | 29173990 |
| R-Sätze (R) | 50/53-36/37/38-20/21/22 |
| Gefahrensymbole | N,Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 60-61-36/37/39-26-37/39-36 |
| Gefahrenklasse | 9Aquatic Acute 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
Intermediates of Liquid Crystals