HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Brom-1-fluor-4-nitrobenzol
2-BROMO-1-FLUORO-4-NITROBENZENE · Benzene, 2-broMo · 2-Bromo-4-nitrofluorobenzene · 3-BROMO-4-FLUORONITROBENZENE · 2-FLUORO-5-NITROBROMOBENZENE · 3-Bromo-4-fluoro-1-nitrobenzene · 1-Fluoro-2-bromo-4-nitrobenzene · 3-BROMO-4-FLUORONITROBENZENE, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 701-45-1 |
|---|---|
| Summenformel | C6H3BrFNO2 |
| Durchschnittliche Molmasse | 220 g/mol |
| Monoisotopische Masse | 218,93311866 g/mol |
| SMILES | O=[N+]([O-])c1ccc(F)c(Br)c1 |
| InChIKey | FAWMTDSAMOCUAR-UHFFFAOYSA-N |
| PubChem CID | 69699 |
| EC No. | 211-855-6 |
| DTXSID | DTXSID30220375 |
| Lokaler Name | 2-Brom-1-fluor-4-nitrobenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 161 |
| Schmelzpunkt | 55°C |
| Siedepunkt | 250.6±20.0 °C(Predicted) |
| Dichte | 1.808±0.06 g/cm3(Predicted) |
| Flammpunkt | 105° |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| Farbe | White or Colorless to Light yellow to Light orange |
| Löslichkeit | Slightly soluble in water. |
| InChI | 1S/C6H3BrFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H |
| InChIKey | FAWMTDSAMOCUAR-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(F)c(Br)c1 |
| CAS Datenbank | 701-45-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (92.9%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 29049090 |
| Gefahrensymbole | Xi,Xn |
| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Reatant in the synthesis of N-fused tricyclic indoles, dimethyamine, benzofuran.