PERFLUORO-TERT-BUTYL IODIDE

Base Information

• Chemical Name: PERFLUORO-TERT-BUTYL IODIDE
• CAS No.: 4459-18-1
• Molecular Formula: C4F9I
• Molecular Weight: 345.934
• Hs Code.: 2903799090
• European Community (EC) Number: 812-772-3
• DSSTox Substance ID: DTXSID00196230
• Nikkaji Number: J1.556.275G
• Wikidata: Q83069301
• Mol file: 4459-18-1.mol

Synonyms:Perfluoro(2-iodo-2-methylpropane);iodoperfluoro-tert-butane;nonafluoro-tert-butyl iodide;PC5906G;1,1,1,3,3,3-hexafluoro-2-iodo-2-trifluoromethyl-propane;perfluoro-tert-butyl iodide;Iodononafluoro-t-butane;nonafluoro-t-butyl iodide;

Chemical Property of PERFLUORO-TERT-BUTYL IODIDE

Chemical Property:

• Melting Point: 60oC
• Boiling Point: 70.6°Cat760mmHg
• Flash Point: 20°C
• PSA: 0.00000
• Density: 2.127g/cm³
• LogP: 3.84710
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 0
• Exact Mass: 345.89010
• Heavy Atom Count: 14
• Complexity: 170

Purity/Quality:

99%, ^*data from raw suppliers

PERFLUORO-TERT-BUTYL IODIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,T
• Hazard Codes: Xi,T
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of PERFLUORO-TERT-BUTYL IODIDE

There total 12 articles about PERFLUORO-TERT-BUTYL 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: 30.8%

2-chlorocarbonyloxy-1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane (27746-96-9) → perfluoro-tert-butyl iodide (4459-18-1)

Guidance literature:

With potassium iodide; at 150 - 180 ℃; for 3h;

DOI:10.1007/BF00957435

Reference yield: 9.8%

iodotrifluoromethane (2314-97-8,263005-66-9) + 3,3-bis(trifluoromethyl)diazirine (3024-50-8) → perfluoro-tert-butyl iodide (4459-18-1)

Guidance literature:

at 150 - 155 ℃; for 10h;

DOI:10.1007/BF00957435

Reference yield: 5.3%

2-bromo-1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane (754-43-8) → 1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane (382-24-1) + perfluoro-tert-butyl iodide (4459-18-1)

Guidance literature:

With sodium iodide; In acetonitrile; for 5h; Heating;

DOI:10.1007/BF00957435

upstream raw materials:

perfluoroisobutylene

1,1,1,3,3,3-hexafluoro-2-nitroso-2-trifluoromethyl-propane

perfluoropropylene

iodotrifluoromethane

Downstream raw materials:

β-(Perfluor-tert-butyl)-ethyl-jodid

perfluoroisobutylene

Ph₂P(t-C₄F₉)

1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane

Refernces

• 1、 Dyatkin,B.L. et al.. "-". . . Retrieved 1965.
• 2、 Deev, L. E.,Nazarenko, T. I.,Pashkevich, K.I.. "NEW ROUTE TO PERFLUOROTERT-BUTYL IODIDE". . p. 321 - 323. Retrieved 2007/10/02.
• 3、 Bagratashvili, V. N.,Kuzmin, M. V.,Letokhov, V. S.. "Chemical Radical Synthesis in Gas Mixtures Induced by Infrared Multiple-Photon Dissociation". . p. 5780 - 5786. Retrieved 2007/10/02.