1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-iodoheptane

Base Information

• Chemical Name: 1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-iodoheptane
• CAS No.: 376-32-9
• Molecular Formula: C₇H₃F₁₂I
• Molecular Weight: 441.986
• Hs Code.: 2903799090
• European Community (EC) Number: 670-627-8
• DSSTox Substance ID: DTXSID90379838
• Wikidata: Q82169839
• Mol file: 376-32-9.mol

Synonyms:376-32-9;1h,1h,7h-dodecafluoroheptyl iodide;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-iodoheptane;1-Iodo-1H,1H,7H-perfluoroheptane;H(CF2)6CH2I;SCHEMBL3919509;DTXSID90379838;1H,1H,7H-Perfluoroheptyl iodide;SSWJUMWKQPCAEB-UHFFFAOYSA-N;MFCD00198000;AKOS016015391;FT-0607842;A823805

Chemical Property of 1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-iodoheptane

Chemical Property:

• Vapor Pressure: 1.24mmHg at 25°C
• Refractive Index: 1.364
• Boiling Point: 179.9 °C at 760 mmHg
• Flash Point: 73.9 °C
• PSA: 0.00000
• Density: 1.93 g/cm³
• LogP: 4.86300
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 441.90879
• Heavy Atom Count: 20
• Complexity: 348

Purity/Quality:

98% ^*data from raw suppliers

1H,1H,7H-DODECAFLUOROHEPTYL IODIDE 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I

Technology Process of 1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-iodoheptane

There total 3 articles about 1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-iodoheptane 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: 82.0%

1,1,7-trihydroperfluoroheptyl toluenesulfonate (424-16-8) → 1H,1H,7H-dodecafluoro-1-iodo-heptane (376-32-9)

Guidance literature:

With potassium iodide; In diethylene glycol; Heating;

Reference yield:

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-heptanol (335-99-9) → 1H,1H,7H-dodecafluoro-1-iodo-heptane (376-32-9)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH / H₂O / 50 °C

2: NaI / bis-(2-hydroxy-ethyl) ether / Heating

With sodium hydroxide; sodium iodide; In water; diethylene glycol;

DOI:10.1016/S0040-4020(03)01199-2

Reference yield:

trimethyl-(1H,1H,7H-dodecafluoroheptyloxy)silane (56002-71-2) + iodochlorotriphenylphosphorane (76002-32-9) → 1H,1H,7H-dodecafluoro-1-iodo-heptane (376-32-9)

Guidance literature:

Yield given. Multistep reaction; 1.) neat, reflux, 2 h; 2) neat, 200 deg C;

DOI:10.1016/S0040-4039(00)73201-1

upstream raw materials:

1,1,7-trihydroperfluoroheptyl toluenesulfonate

trimethyl-(1H,1H,7H-dodecafluoroheptyloxy)silane

iodochlorotriphenylphosphorane

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-heptanol

Downstream raw materials:

1,1,7-Trihydrodecafluorheptyl-p-tolyljodonium

Refernces

• 1、 Konno, Tsutomu,Chae, Jungha,Kanda, Masashi,Nagai, Go,Tamura, Kazushige,Ishihara, Takashi,Yamanaka, Hiroki. "Facile syntheses of various per- or polyfluoroalkylated internal acetylene derivatives". . p. 7571 - 7580. Retrieved 2007/10/03.
• 2、 Shilin, S. V.,Florensova, O. N.,Chernov, N. F.,Voronkov, M. G.. "α,α,ω-TRIHYDRO-α-HALOPERFLUOROALKANES". . p. 1697 - 1699. Retrieved 2007/10/02.