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3-Aminobenzophenon
(3-AMINOPHENYL)(PHENYL)METHANONE · 3-Benzoylaniline · 3-amino-benzophenon · m-Aminobenzophenone · 3-Aminobenzophenone · Benzophenone, 3-amino- · 3-Aminobenzophenone >3-Aminobenzophenone,98% · 3-Aminobenzophenone, 97+%
Identifikatoren & physikalische Daten
| CAS No. | 2835-78-1 |
|---|---|
| Summenformel | C13H11NO |
| Durchschnittliche Molmasse | 197,23 g/mol |
| Monoisotopische Masse | 197,08406397 g/mol |
| SMILES | Nc1cccc(C(=O)c2ccccc2)c1 |
| InChIKey | FUADXEJBHCKVBN-UHFFFAOYSA-N |
| PubChem CID | 17817 |
| ChEMBL | CHEMBL5185745 |
| ChEBI | CHEBI:194607 |
| EC No. | 220-614-4 |
| DTXSID | DTXSID60182593 |
| Lokaler Name | 3-Aminobenzophenon |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 221 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 85-87°C |
| Siedepunkt | 381.0±25.0 °C(Predicted) |
| Dichte | 1.161±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 3.39±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Yellow to green |
| BRN | 2209413 |
| InChI | 1S/C13H11NO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H,14H2 |
| InChIKey | FUADXEJBHCKVBN-UHFFFAOYSA-N |
| SMILES | Nc1cccc(c1)C(=O)c2ccccc2 |
| CAS Datenbank | 2835-78-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.WarningH315 (97.9%): 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Methanone, (3-aminophenyl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (97.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29223990 |
| RTECS-Nr. | DJ0170000 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-39-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Aminobenzophenone has been used in the synthesis of racemic benzophenone ureas, chiral photoaffinity labeling probes.