Hexafluorbenzol
PERFLUOROBENZENE · 1,2,3,4,5,6-Hexafluorobenzene · CP28 · 1,2,3,4,5,6-hexafluoro-benzene · CP 28 · hexafluoro-benzen · Hexafluorobenzene · Hexaflurorobenzene
Identifikatoren & physikalische Daten
| CAS No. | 392-56-3 |
|---|---|
| Summenformel | C6.F6 |
| Durchschnittliche Molmasse | 186,05 g/mol |
| Monoisotopische Masse | 185,99041932 g/mol |
| SMILES | Fc1c(F)c(F)c(F)c(F)c1F |
| InChIKey | ZQBFAOFFOQMSGJ-UHFFFAOYSA-N |
| PubChem CID | 9805 |
| ChEBI | CHEBI:38589 |
| EC No. | 206-876-2 |
| DTXSID | DTXSID5043924 |
| Lokaler Name | Hexafluorbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 104 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 2.22 |
| Dichte | 1.61 @ 20°C1.612 g/mL at 25 °C (lit.) |
| Dampfdruck | 84.5 [mmHg] |
| Physical Description | Liquid[Hawley] Colorless clear liquidMelting point = 3.7-41 deg C[MSDSonline] |
| Schmelzpunkt | 3.7-4.1 °C (lit.) |
| Siedepunkt | 80-82 °C (lit.) |
| Brechungsindex | n20/D 1.377(lit.) |
| Flammpunkt | 50 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| Wichte | 1.612 |
| Löslichkeit | Immiscible with water. |
| Spezifische Wärmekapazität | Cp(liquid): 1.19 J/(g·K), at 25℃ |
| Merck | 14,4686 |
| BRN | 1683438 |
| Henry-Konstante | 3.0×10-4 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielektrizitätskonstante | 2.0499999999999998 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. May form complexes with transition metals which can explode when heated. Highly flammable. |
| InChI | 1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9 |
| InChIKey | ZQBFAOFFOQMSGJ-UHFFFAOYSA-N |
| SMILES | Fc1c(F)c(F)c(F)c(F)c1F |
| CAS Datenbank | 392-56-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, hexafluoro-(392-56-3) |
| EPA chemische Informationen | Benzene, hexafluoro- (392-56-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 76 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzene, hexafluoro-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An irritant[MSDSonline] See Hexachlorobenzene. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Protective Action Criteria (PAC) | 50 [mg/m3]550 [mg/m3]3300 [mg/m3] |
| Toxicity Data | LC50 (mice) = 95,000 mg/m3/2h |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 29039990 |
| RTECS-Nr. | DA3050000 |
| R-Sätze (R) | 11-36/37/38 |
| Toxizität | guinea pig,LCLo,inhalation,11800ppm/4H (11800ppm),BEHAVIORAL: ATAXIASENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYELUNGS, THORAX, OR RESPIRATION: OTHER CHANGES,National Technical Information Service. Vol. OTS0571186, |
| Gefahrensymbole | F,Xi |
| hazard_note | Highly Flammable |
| Sicherheitshinweise (S) | 16-33-7/9-29-26-37/39 |
Anwendungen & Verwendung
Beschreibung
Hexafluorobenzene, HFB, C6F6, or perfluorobenzene is an organic, aromatic compound. In this derivative of benzene all hydrogen atoms have been replaced by fluorine atoms. The technical uses of the compound are limited, although it is recommended as a solvent in a number of photochemical reactions. In the laboratory hexafluorobenzene is used as standard in fluorine-19 NMR spectroscopy, solvent and standard in carbon-13 NMR, solvent in proton NMR, solvent when studying some parts in the infrared and solvent in ultraviolet–visible spectroscopy, as hexafluorobenzene itself hardly shows any absorbance in the UV region.
Verwenden
Hexafluorobenzene is used as a solvent in photochemical reactions. It is also used as a reference compound in fluorine-19 NMR, carbon-13 NMR. It is used as a solvent in proton NMR, IR spectrum and UV-spectra. It is used as anticorrosive, antifriction and anti-tumor agents. Further, it is used as a reference molecule to investigate tissue oxygenation in vivo studies. It forms series of 1:1 complexes with naphthalene, anthracene, phenanthrene, pyrene and triphenylene.