Grundinformationen
- 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
Weitere Namen anzeigen
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
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
- Löslichkeit
- Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
- Aggregatzustand
- Liquid After Melting
- Farbe
- Clear colorless to yellow or light pink
- BRN
- 1717141 · 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 · 507-63-1(CAS DataBase Reference)
- NIST chemische Informationen
- Perfluorooctyl iodide(507-63-1)
- EPA chemische Informationen
- 1 · 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 und Regulatorisches
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];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 exposure; Respiratory 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.
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;EC: 208-079-5;Date of inclusion in the POPs Regulation: 15-Jun-2020;POPs Regulation Annex: Annex I, part A; Annex IV
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
Regulatorische Informationen
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;EC: 208-079-5;Date of inclusion in the POPs Regulation: 15-Jun-2020;POPs Regulation Annex: Annex I, part A; Annex IV
Sicherheitsdaten
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2922
- hs_code
- 29037800
- RTECS-Nr.
- RG9700050
- risk_code
- 36/37/38
- Toxizität
- LD50 ivn-mus: 7500 mg/kg MIVRA6 8,320,74
- hazard_code
- Xi
- hazard_note
- Harmful
- safety_code
- 26-36-37/39
- hazard_class
- 6.1(b)
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
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
Use Classification
PFAS -> PFalkyliodides (PFAI)
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
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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