Perfluoro-3-methylbutyl iodide

Base Information

• Chemical Name: Perfluoro-3-methylbutyl iodide
• CAS No.: 1514-90-5
• Molecular Formula: C5F11 I
• Molecular Weight: 395.942
• Hs Code.: 2903799090
• European Community (EC) Number: 801-536-5
• DSSTox Substance ID: DTXSID70379876
• Wikidata: Q82169891
• Mol file: 1514-90-5.mol

Synonyms:1514-90-5;Perfluoro-3-methylbutyl iodide;Perfluoroisopentyl iodide;1-Iodoperfluoro(3-methylbutane);1,1,1,2,3,3,4,4-octafluoro-4-iodo-2-(trifluoromethyl)butane;Butane, 1,1,1,2,3,3,4,4-octafluoro-4-iodo-2-(trifluoromethyl)-;PERFLUOROISOPENTYLIODIDE;Perfluoroisopentyl iodide 98%;SCHEMBL2065358;DTXSID70379876;MFCD00153244;3-trifluoromethylperfluorobutyl iodide;AKOS016015413;A809180

Chemical Property of Perfluoro-3-methylbutyl iodide

Chemical Property:

• Appearance/Colour: colourless to light purple liquid
• Vapor Pressure: 49.6mmHg at 25°C
• Refractive Index: 1.334
• Boiling Point: 96.5°Cat760mmHg
• Flash Point: 33.6°C
• PSA: 0.00000
• Density: 2.083g/cm³
• LogP: 4.48240
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 2
• Exact Mass: 395.88691
• Heavy Atom Count: 17
• Complexity: 271

Purity/Quality:

98%min ^*data from raw suppliers

1-Iodoperfluoro(3-methylbutane) 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Perfluoro-3-methylbutyl iodide

There total 2 articles about Perfluoro-3-methylbutyl iodide 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:

polytetrafluoroethylene (116-14-3,82785-14-6) + perfluoroisopropyl iodide (677-69-0) → 1-iodoperfluoroisoheptane (3486-08-6) + 7-methylperfluorooctyl iodide (865-77-0) + 1,1,1,2,3,3,4,4-octafluoro-4-iodo-2-(trifluoromethyl)butane (1514-90-5)

Guidance literature:

at 190 ℃;

DOI:10.1016/S0040-4020(01)98611-9

Reference yield:

→ 1,1,1,2,3,3,4,4-octafluoro-4-iodo-2-(trifluoromethyl)butane (1514-90-5)

Guidance literature:

Tetrafluorethylen, 2-Iod-perfluorpropan, hν;

Reference yield: 90.4%

1,1,1,2,3,3,4,4-octafluoro-4-iodo-2-(trifluoromethyl)butane (1514-90-5) → perfluoroisopentane (594-91-2)

Guidance literature:

With fluorine; sodium fluoride; In N,N-dimethyl-formamide; at 20 - 170 ℃; for 9.5h; Autoclave; Inert atmosphere;

upstream raw materials:

polytetrafluoroethylene

perfluoroisopropyl iodide

Downstream raw materials:

Perfluor-2,7-dimethyl-octan

p-(3-trifluoromethylperfluorobutyl)benzoic acid

p-(3-trifluoromethylperfluorobutyl)benzoyl chloride

C₄₂H₅₁F₁₁O₆S₂