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Pentafluorbenzol
48945 · NSC 88293 · Five fluorine · Pentafluorobenzol · PENTAFLUOROBENZENE · pentafluoro-benzen · benzene,pentafluoro- · Pentafluorobenzene>Pentafluorobenzene,99%
Identifikatoren & physikalische Daten
| CAS No. | 363-72-4 |
|---|---|
| Summenformel | C6HF5 |
| Durchschnittliche Molmasse | 168,06 g/mol |
| Monoisotopische Masse | 167,99984113 g/mol |
| SMILES | Fc1cc(F)c(F)c(F)c1F |
| InChIKey | WACNXHCZHTVBJM-UHFFFAOYSA-N |
| PubChem CID | 9696 |
| EC No. | 206-658-7 |
| DTXSID | DTXSID8059893 |
| Lokaler Name | Pentafluorbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 125 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| SpringerMaterials Properties | Coriolis coupling |
| LogP (Verteilungskoeffizient) | 2.53 |
| Dampfdruck | 67.6 [mmHg] |
| Physical Description | Colorless liquid[MSDSonline] |
| Schmelzpunkt | -48 °C (lit.) |
| Siedepunkt | 85 °C (lit.) |
| Dichte | 1.514 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.391(lit.) |
| Flammpunkt | 57 °F |
| Lagerbedingungen | room temp |
| Löslichkeit | 0.4g/lInsoluble in water. |
| Aggregatzustand | liquid |
| Wichte | 1.514 |
| Farbe | colorless |
| BRN | 1911549 |
| Henry-Konstante | 7.5×10-4 mol/(m3Pa) at 25℃, Hiatt (2013) |
| Dielektrizitätskonstante | 4.3600000000000003 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. Highly flammable. |
| InChI | 1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H |
| InChIKey | WACNXHCZHTVBJM-UHFFFAOYSA-N |
| SMILES | Fc1cc(F)c(F)c(F)c1F |
| CAS Datenbank | 363-72-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, pentafluoro-(363-72-4) |
| EPA chemische Informationen | Pentafluorobenzene (363-72-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4.2% (1 of 24) of reports.DangerH225 (91.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 24 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Pentafluorobenzene: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An irritantHarmful if swallowed[MSDSonline] |
| Hazard Classes and Categories | Flam. Liq. 2 (91.7%)Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 29036990 |
| RTECS-Nr. | DA6651600 |
| R-Sätze (R) | 11-22-36/38-36/37/38-41-37/38-39/23/24/25-23/24/25 |
| Gefahrensymbole | F,Xn,Xi,T |
| hazard_note | Flammable |
| Sicherheitshinweise (S) | 26-37/39-16-39-45-36/37-7 |
| Gefahrenklasse | 3Acute Tox. 4 OralFlam. Liq. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Pentafluorobenzene is a fluorinated benzene with anesthetic properties. Pentafluorobenzene has been shown to potently and reversibly inhibited human α4β2 neuronal nicotinic acetylcholine receptor depe ndent on drug hydrophobicity in Xenopus laevis oocyte.