HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3-Difluor-2-nitrobenzol
1,3-DIFLUORO-2-NITROBENZENE · 2,6-Difluoronitroben · 6-Difluoronitrobenzene · 2,6-Difluoronitrobenzne · 2,6-DIFLUORONITROBENZENE · 1,3-Difluor-2-nitrobenzol · 2,6-Difluoro-1-nitrobenzene · 2,6-Difluoronitrobenzene98%
Identifikatoren & physikalische Daten
| CAS No. | 19064-24-5 |
|---|---|
| Summenformel | C6H3F2NO2 |
| Durchschnittliche Molmasse | 159,09 g/mol |
| Monoisotopische Masse | 159,01318478 g/mol |
| SMILES | O=[N+]([O-])c1c(F)cccc1F |
| InChIKey | SSNCMIDZGFCTST-UHFFFAOYSA-N |
| PubChem CID | 87922 |
| EC No. | 242-793-8 |
| DTXSID | DTXSID00172559 |
| Lokaler Name | 1,3-Difluor-2-nitrobenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 149 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Schmelzpunkt | 0C |
| Siedepunkt | 91-92 °C/11 mmHg (lit.) |
| Dichte | 1.503 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.494(lit.) |
| Flammpunkt | 190 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder to lump to clear liquid |
| Farbe | Light yellow to Yellow to Green |
| Löslichkeit | Slightly soluble in water. |
| InChI | InChI=1S/C6H3F2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H |
| InChIKey | SSNCMIDZGFCTST-UHFFFAOYSA-N |
| SMILES | C1(F)=CC=CC(F)=C1[N+]([O-])=O |
| CAS Datenbank | 19064-24-5(CAS DataBase Reference) |
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 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29049090 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 16-26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,6-Difluoronitrobenzene may be used in the preparation of secondary amine precursors, required for the synthesis of two families of nitric oxide donors.