CAS 2043-55-2 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane (HCID 74887)

Names & identifiers

Preferred name: 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane
IUPAC: 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane
English name: 1H,1H,2H,2H-Perfluorohexyl iodide
Molecular formula: C6H4F9I
Molecular weight: 373.99

Names & synonyms

2043-55-21,1,1,2,2,3,3,4,4-NONAFLUORO-6-IODOHEXANEHexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo-7JN3IKF9RXEINECS 218-055-61,1,2,2-TetrahydroperfluorohexyliodideCXHFIVFPHDGZIS-UHFFFAOYSA-1,1,2,2-Tetrahydroperfluorohexyl iodideRefChem:409347218-055-6InChI=1/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H21H,1H,2H,2H-Perfluorohexyl iodide

Show more names

uoro-1-iodohexaneNonafluoro-6-iodohexanePerfluorobutyl ethyl iodidePerfluorobutyl ethyl iodine2-(PERFLUOROBUTYL)ETHYL IODIDE2-(Perfluorobutyl) Ethyl Iodides

C6H4F9I2-(Nonafluorobutyl)ethyl IodideMFCD000394091H,1H,2H,2H-Nonafluorohexyl Iodide1-iodo-1h,1h,2h,2h-nonafluorohexaneDTXSID10475786-Iodo-1,1,1,2,2,3,3,4,4-nonafluorohexane2-(Perfluobutyl) Ethyl Iodide

Database identifiers

CAS: 2043-55-2
PubChem CID: 74887
DTXSID: DTXSID1047578
ChEMBL: CHEMBL3184514
UNII: 7JN3IKF9RX
EC Number: 218-055-6
Nikkaji: J298.664G

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 243

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Melting point: -25 °C · -25°C
Boiling point: 138 °C · 138 °C
Density: 1.94 g/mL · 1.94 g/mL at 20 °C (lit.)
refractive index: 20 · n20/D 1.370
Flash point: 138 · 138-140°C
storage temp.: 2 · 2-8°C
solubility: Chloroform (Soluble), Methanol (Slightly)
form: clear liquid
Specific Gravity: 1.94 · 1.940
color: Colorless to Light yellow to Light red
Sensitive: Light Sensitive
BRN: 1870862 · 1870862
Henry's Law Constant: 8.8 · 8.8×10-7 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: 1S/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H2
InChIKey: CXHFIVFPHDGZIS-UHFFFAOYSA-N
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI
CAS DataBase Reference: 2043 · 2043-55-2(CAS DataBase Reference)
FDA UNII: 7 JN3IKF9RX · 7JN3IKF9RX
EPA Substance Registry System: 1 · Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo- (2043-55-2)
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 302 · P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
F: 8 · 8
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29037800 · 29037800
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

Hazard information

Regulatory Information · 2 items

Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-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-nonafluoro-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)

Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-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 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

Regulatory information

Regulatory Information · 2 items

Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-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-nonafluoro-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)

Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-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.

Safety data

F: 8
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
hs_code: 29037800
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <50,000 lb；2022: <50,000 lb；2021: 250,000 - <550,000 lb；2020: <50,000 lb

Use Classification · 2 items

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

PFAS -> F-telomer iodides (FI)

General Manufacturing InformationHexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo-: ACTIVE

Applications · 2 items

Description1H,1H,2H,2H-Perfluorohexyl iodide is a polyfluorinated iodine alkane (PFI). This compound consists of an even-numbered hydrophobic alkyl chain (typically C4–C12), which is wholly or partially fluorinated and includes an iodine atom at one or both ends. PFIs are reaction products synthesized from the telomerization process by iodine pentafluoride reacting with unsaturated taxogen molecules such as tetrafluoroethylene and ethylene. PFIs are used as critical industrial intermediates for producing various PFCs, such as fluorotelomer alcohols, olefins, and acrylate monomers[1].

Uses1H,1H,2H,2H-Perfluorohexyl iodide has been used for the study for fluorinated phosphonium ionic liquids as a reagent, and in general is used as a reactant in organic reactions.