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Tetrafluor-p-benzochinon
FLUORANIL · 2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione · NSC 264881 · FLUOROANIL · P-FLUORANIL · p-Fluoranil,95% · Tetrafluoroquinone · Tetrafluoro-p-quinone
Identifikatoren & physikalische Daten
| CAS No. | 527-21-9 |
|---|---|
| Summenformel | C6F4O2 |
| Durchschnittliche Molmasse | 180,06 g/mol |
| Monoisotopische Masse | 179,98344189 g/mol |
| SMILES | O=C1C(F)=C(F)C(=O)C(F)=C1F |
| InChIKey | JKLYZOGJWVAIQS-UHFFFAOYSA-N |
| PubChem CID | 68239 |
| EC No. | 208-411-9 |
| DTXSID | DTXSID20200661 |
| Lokaler Name | Tetrafluor-p-benzochinon |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 277 |
| SpringerMaterials Properties | Schoenflies notation |
| Schmelzpunkt | 183-186 °C (subl.) (lit.) |
| Siedepunkt | 133.1±40.0 °C(Predicted) |
| Dichte | 1.6138 (estimate) |
| Lagerbedingungen | Store at room temperature |
| Aggregatzustand | powder to crystal |
| Farbe | Light yellow to Brown |
| BRN | 1875039 |
| Stabilität | Stable. Non-flammable. Incompatible with strong oxidizing agents, alkali metals, strong reducing agents. |
| InChI | 1S/C6F4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11 |
| InChIKey | JKLYZOGJWVAIQS-UHFFFAOYSA-N |
| SMILES | FC1=C(F)C(=O)C(F)=C(F)C1=O |
| CAS Datenbank | 527-21-9(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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| CSL Reaction Information | CSL00130TETRAFLUORO-1,4-BENZOQUINONE + TRIMETHYLALUMINUMChemical & Engineering News (20 May 1996) Vol. 74, No. 21, pp. 4. Aluminum compounds with perfluorophenol substituents have been identified as potentially explosive [Organometallics, 10, 1917 (1991)]. I wish to communicate my experience as well as that of my colleagues. Adding 1,4-tetrafluorodihydroquinone (1 mol equivalent) in toluene to a toluene solution of trimethyl aluminum (1.1 mol equivalents) resulted in a gel-like reaction mixture. Filtration and drying gave a white solid that was isolated in a nitrogen-filled glove box. A 50-mg sample of this solid detonated violently when pressed gently between a stainless-steel spatula and a glass surface. Fortunately, no one was hurt in this incident. Tris(pentafluorophenyl)aluminum etherate has been reported to be explosive when heated [Naturforschg., 20b, 5 (1965)]. Clearly, extreme caution should be used when handling compounds of aluminum with fluorinated ligands.Aluminum complexes with fluorinated ligandsNot Available |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29147000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Tetrafluoro-1,4-benzoquinone (fluoranil) can be used to prepare: Symmetrical or unsymmetrical ethers by coupling of two alcohols via the oxidation-reduction condensation reaction. Azocino[4,3-b]indole scaffold, which is used as an inetermediate to prepare (±)-dasycarpidone. Chiral and racemic charge-transfer (CT) complexes with binaphthol.