HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Bromo-1-fluoro-2-nitrobenzene
5-BROMO-2-FLUORONITROBENZENE · 2-fluoro-5-bromonitrobenzene · 5-Bromo-2-fL · 4-Bromo-1-fluoro-2-n · 4-Bromo-2-nitrofluorobenzene · 4-BROMO-1-FLUORO-2-NITROBENZENE · 5-Bromo-2-fluoronitrobenzene98% · 1-BROMO-4-FLUORO-3-NITROBENZENE
Identifikatoren & physikalische Daten
| CAS No. | 364-73-8 |
|---|---|
| Summenformel | C6H3BrFNO2 |
| Durchschnittliche Molmasse | 220 g/mol |
| Monoisotopische Masse | 218,93311866 g/mol |
| SMILES | O=[N+]([O-])c1cc(Br)ccc1F |
| InChIKey | UQEANKGXXSENNF-UHFFFAOYSA-N |
| PubChem CID | 2736328 |
| EC No. | 639-340-5 |
| DTXSID | DTXSID40371281 |
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 | 18-19 °C (lit.) |
| Siedepunkt | 240-241 °C (lit.) |
| Dichte | 1.786 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.575(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Difficult to mix. |
| Aggregatzustand | Liquid After Melting |
| Farbe | Clear yellow to brownish |
| BRN | 2329084 |
| InChI | InChI=1S/C6H3BrFNO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H |
| InChIKey | UQEANKGXXSENNF-UHFFFAOYSA-N |
| SMILES | C1(F)=CC=C(Br)C=C1[N+]([O-])=O |
| CAS Datenbank | 364-73-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (72.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (72.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2810 |
| Zollcode | 29049090 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 36/37/39-26 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Bromo-1-fluoro-2-nitrobenzene is used in the synthesis of anti-inflammatory agents.