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4-Aminobenzophenon
PAB · (4-AMINOPHENYL)(PHENYL)METHANONE · usafa-233 · USAF a-233 · 4-BENZOYLANILINE · p-Benzoylaniline · 4-aminobenzopenone · TIMTEC-BB SBB003574
Identifikatoren & physikalische Daten
| CAS No. | 1137-41-3 |
|---|---|
| Summenformel | C13H11NO |
| Durchschnittliche Molmasse | 197,23 g/mol |
| Monoisotopische Masse | 197,08406397 g/mol |
| SMILES | Nc1ccc(C(=O)c2ccccc2)cc1 |
| InChIKey | RBKHNGHPZZZJCI-UHFFFAOYSA-N |
| PubChem CID | 14346 |
| ChEMBL | CHEMBL314211 |
| EC No. | 214-506-6 |
| DTXSID | DTXSID8061557 |
| Lokaler Name | 4-Aminobenzophenon |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 213 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 121-124 °C (lit.) |
| Siedepunkt | 246 °C (12.7517 mmHg) |
| Dichte | 1.0957 (rough estimate) |
| Brechungsindex | 1.6050 (estimate) |
| Flammpunkt | 245-247°C/22mm |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Fine Crystalline Powder |
| pKa (Säurekonstante) | pK1: 2.15(+1) (25°C) |
| Farbe | Yellow |
| Löslichkeit | Soluble in cold water, alcohol and ether. |
| BRN | 389292 |
| InChI | InChI=1S/C13H11NO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,14H2 |
| InChIKey | RBKHNGHPZZZJCI-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(N)C=C1)(C1=CC=CC=C1)=O |
| CAS Datenbank | 1137-41-3(CAS DataBase Reference) |
| EPA chemische Informationen | Methanone, (4-aminophenyl)phenyl- (1137-41-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (91.3%) |
| F | 8-10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29223990 |
| RTECS-Nr. | DJ0175000 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Aminobenzophenone is associated with 4-benzoylpyridine and it is used as a frequency doubler for semiconductor lasers. It is used in the preparation of 1-[4-[N,N-bis(trimethylsilyl)amino]phenyl]-1-phenylethylene. It is used as a precursor to prepare 1,2,3-triazoles, pyrimidotriazoles, benzothiazole and pyrimidinone derivatives. It is involved in the formation of coordination complexes with chromium(III).