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Heptadecafluor-1-iodoctan
HEPTADECAFLUORO-1-IODOOCTANE · 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-8-iodooctane · Perfluoro-1-iodooctane · TI-8 · C1014NH7 · uorooctyL · 1-IODOPERFLUOROOCTANE · PERFLUOROOCTYL IODIDE
Identifikatoren & physikalische Daten
| CAS No. | 507-63-1 |
|---|---|
| Summenformel | C8F17I |
| Durchschnittliche Molmasse | 545,96 g/mol |
| Monoisotopische Masse | 545,87733 g/mol |
| SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I |
| InChIKey | KWXGJTSJUKTDQU-UHFFFAOYSA-N |
| PubChem CID | 10491 |
| EC No. | 208-079-5 |
| DTXSID | DTXSID0060147 |
| Lokaler Name | Heptadecafluor-1-iodoctan |
Chemische & physikalische Eigenschaften
| XLogP | 6,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 17 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 527 |
| Physical Description | LiquidClear light pink solid or liquidmp = 25 deg C[Acros Organics MSDS] |
| Schmelzpunkt | 25 °C |
| Siedepunkt | 160-161 °C(lit.) |
| Dichte | 2.067 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.329(lit.) |
| Flammpunkt | 160-161°C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly) |
| Aggregatzustand | Liquid After Melting |
| Farbe | Clear colorless to yellow or light pink |
| BRN | 1717141 |
| InChI | 1S/C8F17I/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26 |
| InChIKey | KWXGJTSJUKTDQU-UHFFFAOYSA-N |
| SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I |
| CAS Datenbank | 507-63-1(CAS DataBase Reference) |
| NIST chemische Informationen | Perfluorooctyl iodide(507-63-1) |
| EPA chemische Informationen | Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- (507-63-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 10.8% (7 of 65) of reports.WarningH315 (78.5%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (78.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (76.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H413 (10.8%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P273, 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 65 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 7 of 65 reports by companies.There are 9 notifications provided by 58 of 65 reports by companies with hazard statement code(s).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 | Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-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)S - indicates a substance that is identified in a final Significant New Use Rule.Substance: Heptadecafluoro-1-iodooctaneEC: 208-079-5Date of inclusion in the POPs Regulation: 15-Jun-2020POPs Regulation Annex: Annex I, part AAnnex IV |
| Gefahrenübersicht | Intravenous LD50 (mouse) = 7,500 mg/kg[RTECS] An irritant[Acros Organics MSDS] See Perfluoromethylcyclohexane. |
| Hazard Classes and Categories | Skin Irrit. 2 (78.5%)Eye Irrit. 2 (78.5%)STOT SE 3 (76.9%)Aquatic Chronic 4 (10.8%)Hazardous to the aquatic environment (Long-term) - Category 4 |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2922 |
| Zollcode | 29037800 |
| RTECS-Nr. | RG9700050 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 ivn-mus: 7500 mg/kg MIVRA6 8,320,74 |
| Gefahrensymbole | Xi |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | 6.1(b)Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Perfluorooctyl Iodide is a perfluoroalkyl iodide used in organocatalysis via substrate activation by halogen bonding. Perfluorooctyl Iodide is a potential candidate substitute for banned Halon fire extinguishers.