1,1,1,2,2,3,3,4,4-Nonafluor-6-iodhexan
1H,1H,2H,2H-NONAFLUOROHEXYL IODIDE · 1,1,1,2,2,3,3,4,4-NONAFLUORO-6-IODOHEXANE · uoro-1-iodohexane · Nonafluoro-6-iodohexane · Perfluorobutyl ethyl iodide · Perfluorobutyl ethyl iodine · 2-(Perfluobutyl) Ethyl Iodide · 2-(PERFLUOROBUTYL)ETHYL IODIDE
Identifikatoren & physikalische Daten
| CAS No. | 2043-55-2 |
|---|---|
| Summenformel | C6H4F9I |
| Durchschnittliche Molmasse | 373,99 g/mol |
| Monoisotopische Masse | 373,9214 g/mol |
| SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI |
| InChIKey | CXHFIVFPHDGZIS-UHFFFAOYSA-N |
| PubChem CID | 74887 |
| ChEMBL | CHEMBL3184514 |
| EC No. | 218-055-6 |
| DTXSID | DTXSID1047578 |
| Lokaler Name | 1,1,1,2,2,3,3,4,4-Nonafluor-6-iodhexan |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 243 |
| Physical Description | Liquid |
| Schmelzpunkt | -25°C |
| Siedepunkt | 138 °C |
| Dichte | 1.94 g/mL at 20 °C (lit.) |
| Brechungsindex | n20/D 1.370 |
| Flammpunkt | 138-140°C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Soluble), Methanol (Slightly) |
| Aggregatzustand | clear liquid |
| Wichte | 1.940 |
| Farbe | Colorless to Light yellow to Light red |
| BRN | 1870862 |
| Henry-Konstante | 8.8×10-7 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | 1S/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H2 |
| InChIKey | CXHFIVFPHDGZIS-UHFFFAOYSA-N |
| SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI |
| CAS Datenbank | 2043-55-2(CAS DataBase Reference) |
| EPA chemische Informationen | Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo- (2043-55-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.9%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29037800 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) |
Anwendungen & Verwendung
Beschreibung
1H,1H,2H,2H-Perfluorohexyl iodide is a polyfluorinated iodine alkane (PFI). This compound consists of an even-numbered hydrophobic alkyl chain (typically C4–C12), which is wholly or partially fluorinated and includes an iodine atom at one or both ends. PFIs are reaction products synthesized from the telomerization process by iodine pentafluoride reacting with unsaturated taxogen molecules such as tetrafluoroethylene and ethylene. PFIs are used as critical industrial intermediates for producing various PFCs, such as fluorotelomer alcohols, olefins, and acrylate monomers[1].
Verwenden
1H,1H,2H,2H-Perfluorohexyl iodide has been used for the study for fluorinated phosphonium ionic liquids as a reagent, and in general is used as a reactant in organic reactions.