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1,3-Difluor-5-nitrobenzol
1,3-DIFLUORO-5-NITROBENZENE · 3,5-Difluoronitroben · 3,5-Difluornitrobenzene · 3,5-DIFLUORONITROBENZENE · Flurbiprofen Impurity 179 · 3,5-Difluoronitrobenzene>3,5-Difluoro-1-nitrobenzene · 1-Nitro-3,5-difluorobenzene · 3,5-Difluoronitrobenzene 99%
Identifikatoren & physikalische Daten
| CAS No. | 2265-94-3 |
|---|---|
| Summenformel | C6H3F2NO2 |
| Durchschnittliche Molmasse | 159,09 g/mol |
| Monoisotopische Masse | 159,01318478 g/mol |
| SMILES | O=[N+]([O-])c1cc(F)cc(F)c1 |
| InChIKey | AUQBBDWDLJSKMI-UHFFFAOYSA-N |
| PubChem CID | 75272 |
| EC No. | 218-867-0 |
| DTXSID | DTXSID30177193 |
| Lokaler Name | 1,3-Difluor-5-nitrobenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 149 |
| LogP (Verteilungskoeffizient) | 2.03 |
| Schmelzpunkt | 17 °C (lit.) |
| Siedepunkt | 176-177 °C (lit.) |
| Dichte | 1.407 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.499(lit.) |
| Flammpunkt | 165 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Light yellow to Yellow to Orange |
| Wichte | 1.407 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
| InChI | 1S/C6H3F2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H |
| InChIKey | AUQBBDWDLJSKMI-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cc(F)cc(F)c1 |
| CAS Datenbank | 2265-94-3(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 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 | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 |
| Zollcode | 29049090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANT, IRRITANT-HARMFULEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3,5-Difluoronitrobenzene has been used to improve thermal stability of immobilized porcine pancrease lipase.