HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Nitrobenzophenon
P-NITROBENZOPHENONE · (4-Nitrophenyl)(phenyl)methanone · AKOS BBS-00004610 · 4-NITROBENZOPHENONE · Benzophenone, 4-nitro- · 4-Nitrobenzophenone>4-Nitrobenzophenone 99% · 4-Nitrobenzophenone, 98%+ · 4-Nitrobenzophenone, 99+%
Identifikatoren & physikalische Daten
| CAS No. | 1144-74-7 |
|---|---|
| Summenformel | C13H9NO3 |
| Durchschnittliche Molmasse | 227,21 g/mol |
| Monoisotopische Masse | 227,05824315 g/mol |
| SMILES | O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1 |
| InChIKey | ZYMCBJWUWHHVRX-UHFFFAOYSA-N |
| PubChem CID | 70839 |
| EC No. | 214-542-2 |
| DTXSID | DTXSID7061564 |
| Lokaler Name | 4-Nitrobenzophenon |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 62,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 284 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Physical Description | Light yellow powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 136-138 °C (lit.) |
| Siedepunkt | 368.92°C (rough estimate) |
| Dichte | 1.4060 |
| Brechungsindex | 1.5880 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Green |
| BRN | 1912753 |
| InChI | InChI=1S/C13H9NO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H |
| InChIKey | ZYMCBJWUWHHVRX-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C([N+]([O-])=O)C=C1)(C1=CC=CC=C1)=O |
| CAS Datenbank | 1144-74-7(CAS DataBase Reference) |
| NIST chemische Informationen | Methanone, (4-nitrophenyl)phenyl-(1144-74-7) |
| EPA chemische Informationen | Methanone, (4-nitrophenyl)phenyl- (1144-74-7) |
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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | An irritant[Sigma-Aldrich MSDS] See Benzophenone. See Nitrobenzene. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29147090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Nitrobenzophenone is used in the quantitative structural activity relationship analysis of benzophenone derivatives as antimalarial agents.