Heptadecafluor-1-iodoctan
Perfluorooctyl iodide
Grundinformationen
- CAS
507-63-1- Standard-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- Summenformel
- C8F17I
- Durchschnittliche Molmasse
- 545,96 g/mol
- Monoisotopische Masse
- 545,87733
Namen und Bezeichner
- Bevorzugter Name
- Perfluorooctyl iodide
- IUPAC
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane
- Lokaler Name
- Heptadecafluor-1-iodoctan
- Englischer Name
- Perfluorooctyl iodide
- Summenformel
- C8F17I
- Molmasse
- 545.96
Namen und Synonyme
Perfluorooctyl iodide507-63-1Heptadecafluoro-1-iodooctane1-Iodoperfluorooctane1-IodoheptadecafluorooctanePerfluoro-1-iodooctaneOctane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo-DTXSID0060147072985Y799RefChem:171673DTXCID6040901208-079-5
Weitere Namen anzeigen
TI-8C1014NH7uorooctyLPerfluorooctyl iodinePerfluorooctyliodide98%
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-8-iodooctaneHeptadecafluoro-n-octyl IodidePerfluoro-n-octyl IodideC8F17IHeptadecafluorooctyl iodideMFCD00001064OCTANE, HEPTADECAFLUORO-1-IODO-BRN 1717141
Datenbank-Bezeichner
- CAS
507-63-1- PubChem CID
- 10491
- DTXSID
DTXSID0060147- UNII
- 072985Y799
- EC Number
- 208-079-5
- Nikkaji
- J97.538I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,8
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 17
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 527
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> PFalkyliodides (PFAI)
PFAS -> OECD Category
Endocrine DisruptorsPotential endocrine disrupting compound
Physical Description
Liquid
Clear light pink solid or liquid; mp = 25 deg C; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 25 °C · 25 °C
- Siedepunkt
- 160 · 160-161 °C(lit.)
- Dichte
- 2.067 g/mL · 2.067 g/mL at 20 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.329(lit.)
- Flammpunkt
- 160 · 160-161°C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 10.8% (7 of 65) of reports.
Warning
H315 (78.5%): Causes skin irritation [Warning Skin corrosion/irritation]
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.
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Gefahrenhinweise
Regulatory Information
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-iodooctane
Hazards SummaryIntravenous LD50 (mouse) = 7,500 mg/kg; [RTECS] An irritant; [Acros Organics MSDS] See Perfluoromethylcyclohexane.
Hazard Classes and Categories
Skin Irrit. 2 (78.5%)
Hazardous to the aquatic environment (Long-term) - Category 4
Sicherheitsdaten
- F
- 8
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances used to allow enhanced visualization of tissues.
Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.
Agents that increase energy expenditure and weight loss by neural and metabolic regulation.
Verwendung und Herstellung
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesIntermediate
Use Classification
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS -> PFalkyliodides (PFAI)
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo-: ACTIVE
Anwendungen
VerwendenPerfluorooctyl 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.
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