1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-9-iodononane

Base Information

• Chemical Name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-9-iodononane
• CAS No.: 89889-20-3
• Molecular Formula: C9H6 F13 I
• Molecular Weight: 488.03
• Hs Code.: 2903799090
• European Community (EC) Number: 627-019-2
• DSSTox Substance ID: DTXSID60535646
• Nikkaji Number: J2.118.561B
• Wikidata: Q82410011
• Mol file: 89889-20-3.mol

Synonyms:89889-20-3;1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-9-iodononane;4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl iodide;1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-9-iodo-nonane;1H,1H,2H,2H,3H,3H-Perfluorononyl iodide;3-(Perfluorohexyl)propyl iodide;SCHEMBL1702679;DTXSID60535646;AKOS015902759;MS-20487;NS00019303;4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl iodide, >=97% (GC)

Chemical Property of 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-9-iodononane

Chemical Property:

• Vapor Pressure: 0.223mmHg at 25°C
• Refractive Index: n20/D 1.369
• Boiling Point: 214.9°C at 760 mmHg
• Flash Point: 93.1°C
• PSA: 0.00000
• Density: 1.827g/cm³
• LogP: 5.94040
• Storage Temp.: Amber Vial, Refrigerator, Under inert atmosphere
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 487.93066
• Heavy Atom Count: 23
• Complexity: 410

Purity/Quality:

99%min. ^*data from raw suppliers

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-9-iodo-nonane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CI

Technology Process of 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-9-iodononane

There total 5 articles about 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-9-iodononane 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: 75.0%

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol (80806-68-4) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9-iodononane (89889-20-3)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1016/j.tetlet.2006.05.142

Reference yield:

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-iodononan-1-ol (38550-44-6) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9-iodononane (89889-20-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / LiAlH₄ / tetrahydrofuran

2: 75 percent / PPh₃; I₂; imidazole / CH₂Cl₂ / 0 - 20 °C

With 1H-imidazole; lithium aluminium tetrahydride; iodine; triphenylphosphine; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.tetlet.2006.05.142

Reference yield:

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl acetate (83311-03-9) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9-iodononane (89889-20-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 92.6 percent / KOH / ethanol; H₂O / 3 h / 69 - 70 °C

2: 85percent H₃PO₄, KI, P₂O₅ / 6 h / 127 - 135 °C

With potassium hydroxide; phosphoric acid; phosphorus pentoxide; potassium iodide; In ethanol; water;

DOI:10.1021/jo00187a012

upstream raw materials:

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-iodononan-1-ol

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl acetate

n-perfluorohexyl iodide

Downstream raw materials:

2-perfluorohexylethanethiol

C₁₉H₁₉F₁₃O₂

Bis-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-nonyl)-thiocarbamic acid O-((2R,4aR,6S,7R,8S,8aR)-7-benzyloxy-6-methoxy-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl) ester

bis-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-nonyl)-thiocarbamic acid O-(1-methyl-2-phenyl-ethyl) ester