1,1,1-Trifluoro-2-iodo-propane

Base Information

• Chemical Name: 1,1,1-Trifluoro-2-iodo-propane
• CAS No.: 118334-95-5
• Molecular Formula: C₃H₄F₃I
• Molecular Weight: 223.964
• DSSTox Substance ID: DTXSID40558535
• Mol file: 118334-95-5.mol

Synonyms:1,1,1-TRIFLUORO-2-IODO-PROPANE;118334-95-5;1,1,1-trifluoro-2-iodopropane;MFCD00066336;SCHEMBL4241014;DTXSID40558535;HHCQMYDFYORZCQ-UHFFFAOYSA-N;SB31057;SY345991;F75129

Chemical Property of 1,1,1-Trifluoro-2-iodo-propane

Chemical Property:

• Boiling Point: 73.6±8.0 °C(Predicted)
• Density: 1.970±0.06 g/cm3(Predicted)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 223.93098
• Heavy Atom Count: 7
• Complexity: 57.7

Purity/Quality:

97% ^*data from raw suppliers

1,1,1-Trifluoro-2-iodo-propane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(F)(F)F)I
• Uses: 1,1,1-Trifluoro-2-iodo-propane is a useful reagent in the synthesis of trifluoro- and hexafluoroisopropyl halides.

Technology Process of 1,1,1-Trifluoro-2-iodo-propane

There total 1 articles about 1,1,1-Trifluoro-2-iodo-propane 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: 92.0%

1,1,1-trifluoropropan-2-yl 1,1,2,2,3,3 ,4,4,4-nonafluorobutane-1-sulfonate (118334-94-4) → 1,1,1-Trifluoroisopropyl iodide (118334-95-5)

Guidance literature:

With sodium iodide; In acetylacetone; for 60h; Ambient temperature;

DOI:10.1021/jo00267a036

upstream raw materials:

1,1,1-trifluoropropan-2-yl 1,1,2,2,3,3 ,4,4,4-nonafluorobutane-1-sulfonate