1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-iodohexane (HCID 67733)

Namen und Bezeichner

Bevorzugter Name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-iodohexane
IUPAC: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodohexane
Lokaler Name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluor-6-iodhexan
Englischer Name: Perfluoro-1-iodohexane
Summenformel: C6F13I
Molmasse: 445.95

Namen und Synonyme

Perfluorohexyl iodide1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-iodohexaneHexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodo-RefChem:409343355-43-1perfluoro-1-iodohexane1-IodoperfluorohexaneTridecafluorohexyl iodidePerfluoro-n-hexyl iodideC6F13I1-IodotridecafluorohexaneTridecafluoro-1-iodohexane

Weitere Namen anzeigen

Perfluorohexyl iodineTI-6C1014NH5uorohexyLTridecafL

MFCD00001063A2A17JUG4RDTXSID7047566UNII-A2A17JUG4REINECS 206-586-6PERFLUOROIODOHEXANEtridecafluoro-1-iodo-hexanetridecafluoro-n-hexyl iodide

Datenbank-Bezeichner

CAS: 355-43-1
PubChem CID: 67733
DTXSID: DTXSID7047566
UNII: A2A17JUG4R
EC Number: 206-586-6
Nikkaji: J97.536B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,4
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 13
Frei drehbare Bindungen: 4
Schwere Atome: 20
Formalladung: 0
Komplexität: 366

Experimentelle und physikochemische Eigenschaften

PFAS · 6 Einträge

PFAS -> OECD Category

PFAS -> Other/unspecified

PFAS -> PFalkyliodides (PFAI)

PFAS -> Intentionally added food contact chemicals

PFAS -> Other/unspecified

SpringerMaterials PropertiesOptical coefficient

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: -45 °C · -45 °C
Siedepunkt: 117 °C · 117 °C(lit.)
Dichte: 2.063 g/mL · 2.063 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.329(lit.)
Flammpunkt: 117 °C · 117°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
Farbe: Pale Pink
Wichte: 2.063 · 2.063
Wasserlöslichkeit: insoluble
BRN: 1802118 · 1802118
Henry's Law Constant: 4.6 · 4.6×10-4 mol/(m3Pa) at 25℃, Abusallout et al. (2022)
Stabilität: Stable.
InChI: 1S/C6F13I/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20
InChIKey: BULLJMKUVKYZDJ-UHFFFAOYSA-N
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
CAS Datenbank: 355 · 355-43-1(CAS DataBase Reference)
NIST chemische Informationen: Perfluorohexyl iodide(355-43-1)
EPA chemische Informationen: 1 · Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodo- (355-43-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 3.3% (1 of 30) of reports.

Warning

H315 (46.7%): 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, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 30 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-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)

Status: Active Update: 23-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24058

Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-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 CategoriesSkin Irrit. 2 (46.7%)

Sicherheitsdaten

F: 8
wgk: 3
tsca: TSCA listed
ridadr: 2810
hs_code: 29034700
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 23-24/25-37/39-26-37
hazard_class: 6.1(b)
packing_group: III
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 550,000 - <1,000,000 lb

Industry UsesIntermediate

Use Classification · 2 Einträge

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

PFAS -> PFalkyliodides (PFAI)

General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodo-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenPerfluorohexyl Iodide is an important intermediate in the synthesis of organic fluorides products. It also exhibits estrogenic activity in vitro. Perfluorohexyl Iodide is used in the screening assay for binding affinities of perfluoroalkyl iodide for estrogen receptor alpha and beta isoforms.