HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,2-Dichloro-4-fluoro-5-nitrobenzene
4,5-Dichloro-2-fluoronitrobenzene · BUTTPARK 89\07-58 · uoro-5-nitrobenzene · 1,2-DICHLORO-4-FLUOR · 3,4-Dichloro-2-fluoro-1-nitrobenzene · 4,5-Dichloro-2-fluoronitrobenzene95% · 1,2-Dichloro-4-fluoro-5-nitrobenzene · 4,5-Dichloro-2-fluoronitrobenzene 95%
Identifikatoren & physikalische Daten
| CAS No. | 2339-78-8 |
|---|---|
| Summenformel | C6H2Cl2FNO2 |
| Durchschnittliche Molmasse | 209,99 g/mol |
| Monoisotopische Masse | 208,94466188 g/mol |
| SMILES | O=[N+]([O-])c1cc(Cl)c(Cl)cc1F |
| InChIKey | FXOCDIKCKFOUDE-UHFFFAOYSA-N |
| PubChem CID | 533951 |
| EC No. | 607-228-5 |
| DTXSID | DTXSID90336466 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 187 |
| Schmelzpunkt | 17 °C (lit.) |
| Siedepunkt | 247 °C (lit.) |
| Dichte | 1.596 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.575(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Low Melting Solid |
| Farbe | Pale yellow |
| InChI | 1S/C6H2Cl2FNO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H |
| InChIKey | FXOCDIKCKFOUDE-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cc(Cl)c(Cl)cc1F |
| CAS Datenbank | 2339-78-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2904990090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1,2-Dichloro-4-fluoro-5-nitrobenzene may be used in the combinatorial solid-phase synthesis of bis-heterocyclic compounds. It was employed as solute to investigate the possibility of selective excitation in coupled multispin systems.