HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4'-Phenylacetophenon
TMBA · MESITOIC ACID · ACETYLBIPHENYL · 4-PHENYLACETOPHENONE · 4-BIPHENYL METHYL KETONE · 1-Biphenyl-4-yl-ethanone · AKOS 90586 · AKOS BAR-1322
Identifikatoren & physikalische Daten
| CAS No. | 92-91-1 |
|---|---|
| Summenformel | C14H12O |
| Durchschnittliche Molmasse | 196,24 g/mol |
| Monoisotopische Masse | 196,088815 g/mol |
| SMILES | CC(=O)c1ccc(-c2ccccc2)cc1 |
| InChIKey | QCZZSANNLWPGEA-UHFFFAOYSA-N |
| PubChem CID | 7113 |
| ChEMBL | CHEMBL1522504 |
| EC No. | 202-202-6 |
| DTXSID | DTXSID6052619 |
| Lokaler Name | 4'-Phenylacetophenon |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 207 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 152-155 °C(lit.) |
| Siedepunkt | 325-327 °C |
| Dichte | 1.2510 |
| Brechungsindex | 1.5920 (estimate) |
| Flammpunkt | 168°C/8mm |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | chloroform: soluble10mg/200microlitres, clear, colorless to faintly yellowinsoluble |
| Aggregatzustand | Solid |
| Farbe | White to Green to Brown |
| BRN | 1101615 |
| InChI | InChI=1S/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3 |
| InChIKey | QCZZSANNLWPGEA-UHFFFAOYSA-N |
| SMILES | C(=O)(C1=CC=C(C2=CC=CC=C2)C=C1)C |
| CAS Datenbank | 92-91-1(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanone, 1-[1,1'-biphenyl]-4-yl-(92-91-1) |
| EPA chemische Informationen | Ethanone, 1-[1,1'-biphenyl]-4-yl- (92-91-1) |
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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Ethanone, 1-[1,1'-biphenyl]-4-yl-: 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 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29143900 |
| RTECS-Nr. | DI0887010 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
4-Acetylbiphenyl is involved in the study of inactivation of 7-ethoxy-4-trifluoromethylcoumarin ortho-deethylase activity by various arylalkynes. Further, it is used in the preparation of Schiffs base.