1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluor-6-iodhexan

PERFLUOROHEXYL IODIDE · 1,1,1,2,2,3,3,4,4,5,5,6,6-TRIDECAFLUORO-6-IODOHEXANE · Perfluorohexyl iodine · TRIDECAFLUOROHEXYL IODIDE · Perfluoroiodohexane · TRIDECAFLUORO-1-IODOHEXANE · TI-6 · C1014NH5

https://huagongshe.com/de/chemical/67733

Molekülstruktur von 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluor-6-iodhexan

Identifikatoren & physikalische Daten

CAS No.	355-43-1
Summenformel	C6F13I
Durchschnittliche Molmasse	445,95 g/mol
Monoisotopische Masse	445,88371486 g/mol
SMILES	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIKey	BULLJMKUVKYZDJ-UHFFFAOYSA-N
PubChem CID	67733
EC No.	206-586-6
DTXSID	DTXSID7047566
Lokaler Name	1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluor-6-iodhexan

Chemische & physikalische Eigenschaften

XLogP	5,4
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	13
Frei drehbare Bindungen	4
Schwere Atome	20
Formalladung	0
Komplexität	366
PFAS	PFAS -> OECD CategoryPFAS -> Other/unspecifiedPFAS -> PFalkyliodides (PFAI)PFAS -> Intentionally added food contact chemicals
SpringerMaterials Properties	Optical coefficient
Endocrine Disruptors	Potential endocrine disrupting compound
Physical Description	Liquid
Schmelzpunkt	-45 °C
Siedepunkt	117 °C(lit.)
Dichte	2.063 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.329(lit.)
Flammpunkt	117°C
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	DMSO (Slightly), Methanol (Slightly)insoluble
Aggregatzustand	Oil
Farbe	Pale Pink
Wichte	2.063
BRN	1802118
Henry-Konstante	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	355-43-1(CAS DataBase Reference)
NIST chemische Informationen	Perfluorohexyl iodide(355-43-1)
EPA chemische Informationen	Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodo- (355-43-1)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 3.3% (1 of 30) of reports.WarningH315 (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.
Regulatorische Informationen	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/24058Hexane, 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 Categories	Skin Irrit. 2 (46.7%)
F	8
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	2810
Zollcode	29034700
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
hazard_note	Irritant
Sicherheitshinweise (S)	23-24/25-37/39-26-37
Gefahrenklasse	6.1(b)
Verpackungsgruppe

Anwendungen & Verwendung

Verwenden

Perfluorohexyl 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.