1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane

Base Information

• Chemical Name: 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane
• CAS No.: 2043-55-2
• Molecular Formula: C6H4F9I
• Molecular Weight: 373.988
• Hs Code.: 29037800
• European Community (EC) Number: 218-055-6
• UNII: 7JN3IKF9RX
• DSSTox Substance ID: DTXSID1047578
• Nikkaji Number: J298.664G
• Wikidata: Q72500564
• ChEMBL ID: CHEMBL3184514
• Mol file: 2043-55-2.mol

Synonyms:2043-55-2;1,1,1,2,2,3,3,4,4-NONAFLUORO-6-IODOHEXANE;1H,1H,2H,2H-Perfluorohexyl iodide;Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo-;EINECS 218-055-6;7JN3IKF9RX;1H,1H,2H,2H-Nonafluorohexyl Iodide;1,1,2,2-Tetrahydroperfluorohexyliodide;C6H4F9I;2-(Perfluobutyl) Ethyl Iodide;DTXSID1047578;6-Iodo-1,1,1,2,2,3,3,4,4-nonafluorohexane;1,1,2,2-Tetrahydroperfluorohexyl iodide;2-(Perfluorobutyl)ethyl iodide;1-iodo-1h,1h,2h,2h-nonafluorohexane;2-(Nonafluorobutyl)ethyl Iodide;1h,1h,2h,2h-perfluorohexyliodide;1-iodo-1h,1h,2h,2h-perfluorohexane;1h,1h,2h,2h-perfluoro-1-iodohexane;UNII-7JN3IKF9RX;2-perfluorobutylethyl iodide;1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo-hexane;SCHEMBL1093697;CHEMBL3184514;DTXCID9027578;C6 Gamma-Omega Perfluoro Iodine;CXHFIVFPHDGZIS-UHFFFAOYSA-;C6-H4-F9-I;Tox21_302584;BBL101882;MFCD00039409;STL555679;AKOS005063732;CS-W013885;NCGC00256745-01;AS-66125;CAS-2043-55-2;FT-0607942;P1155;1,1,2,2-Tetrahydroperfluorohexyl iodide, 98%;D78068;1,1,1,2,2,3,3,4,4 nonafluor-6-iodo-hexane;1-iodo-3,3,4,4,5,5,6,6,6-nonafluorohexane;A814554;1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane, technical, >=95.0% (GC)

Chemical Property of 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane

Chemical Property:

• Vapor Pressure: 4.88mmHg at 25°C
• Melting Point: -25°C
• Refractive Index: n20/D 1.370
• Boiling Point: 150.492 °C at 760 mmHg
• Flash Point: 58.517 °C
• PSA: 0.00000
• Density: 1.912 g/cm³
• LogP: 4.27970
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 373.92140
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

1H,1H,2H,2H-Nonafluorohexyl Iodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CI)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Uses: 1H,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.

Technology Process of 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane

There total 5 articles about 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 50.0%

ethene (74-85-1) + 1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane (423-39-2) → 3,3,4,4,5,5,6,6,6-nonafluorohexyliodide (2043-55-2,71215-70-8)

Guidance literature:

at 205 ℃; for 24h;

DOI:10.1016/S0022-1139(99)00287-0

Reference yield:

→ 1-iodo-1H,1H,2H,2H-perfluorohexadecane (65510-55-6) + 1-iodo-1H,1H,2H,2H-perfluorooctadecane + 3,3,4,4,5,5,6,6,6-nonafluorohexyliodide (2043-55-2,71215-70-8) + 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane (2043-57-4,71215-70-8) + 2-(n-perfluorooctyl)ethyl iodide (2043-53-0,71215-70-8) + 1-iodo-1H,1H,2H,2H-perfluorododecane (2043-54-1,71215-70-8) + 1-iodo-1H,1H,2H,2H-perfluorotetradecane (30046-31-2)

Guidance literature:

Purification / work up;

Reference yield:

1H,1H,2H,2H-perfluoro-n-hexyl bromide (38436-14-5) → 3,3,4,4,5,5,6,6,6-nonafluorohexyliodide (2043-55-2,71215-70-8)

Guidance literature:

With sodium iodide; In acetone; Reflux; Inert atmosphere;

DOI:10.1021/jacs.0c07126

upstream raw materials:

ethene

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

1H,1H,2H,2H-perfluoro-n-hexyl bromide

Downstream raw materials:

1,1,1,2,2,3,3,4,4-nonafluorohexane

4-(1H,1H,2H,2H-Perfluorohexylthio)nitrobenzene

diisopropyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane

diethyl 1H,1H,2H,2H-nonafluorohexyl-phosphonate

Refernces

• 1、 Chen, Yifeng,Qu, Jingping,Wu, Xianqing. "Quinim: A New Ligand Scaffold Enables Nickel-Catalyzed Enantioselective Synthesis of α-Alkylated ?-Lactam". supporting information. p. 15654 - 15660. Retrieved 2020/10/18.
• 2、 Qiu, Weiming,Raghavanpillai, Anilkumar,Brown, Peter A.,Atkinson, Wayne R.,Vincent, Michael F.,Marshall, William J.. "Ethylene-tetrafluoroethylene (ETFE) cotelomer iodides and their transformation to surface protection intermediates". . p. 12 - 23. Retrieved 2015/03/05.