HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4'-Chlor-3'-nitroacetophenon
4-CHLORO-3-NITROACETOPHENONE · LABOTEST-BB LT00232960 · 3Nitro-4Chlorocetophenone · 4-chloro-3-niroacetophenone · 4-Chloro-3-nitriacetophenone · 4'-Chloro-3'-nitroacetophenone · 3'-NITRO-4'-CHLORO ACETOPHENONE · 1-(4-CHLORO-3-NITROPHENYL)ETHANONE
Identifikatoren & physikalische Daten
| CAS No. | 5465-65-6 |
|---|---|
| Summenformel | C8H6ClNO3 |
| Durchschnittliche Molmasse | 199,59 g/mol |
| Monoisotopische Masse | 199,00362073 g/mol |
| SMILES | CC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 |
| InChIKey | YEVPHFIFGUWSMG-UHFFFAOYSA-N |
| PubChem CID | 79596 |
| EC No. | 226-769-4 |
| DTXSID | DTXSID0022228 |
| Lokaler Name | 4'-Chlor-3'-nitroacetophenon |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 62,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 226 |
| Schmelzpunkt | 99-101 °C(lit.) |
| Siedepunkt | 160°C (rough estimate) |
| Dichte | 1.4125 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | Store at room temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Green |
| BRN | 1640627 |
| InChI | 1S/C8H6ClNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3 |
| InChIKey | YEVPHFIFGUWSMG-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc(Cl)c(c1)[N+]([O-])=O |
| CAS Datenbank | 5465-65-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (88%): 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 50 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 (88%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29147000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4′-Chloro-3′-nitroacetophenone was used to prepare starting reagent for the synthesis of 6- and 7-acetyl-3-methyl-2-quinoxalinecarboxamide1,4-dioxides.