3-Iodopentafluoropropene-1

Base Information

• Chemical Name: 3-Iodopentafluoropropene-1
• CAS No.: 431-65-2
• Molecular Formula: C3F5 I
• Molecular Weight: 257.93
• Hs Code.: 2903799090
• European Community (EC) Number: 695-766-1
• DSSTox Substance ID: DTXSID30379438
• Nikkaji Number: J28.268E
• Mol file: 431-65-2.mol

Synonyms:3-iodopentafluoropropene-1;431-65-2;1,1,2,3,3-pentafluoro-3-iodoprop-1-ene;Perfluoroallyl iodide;3-Iodopentafluoroprop-1-ene;3-iodopentafluoropropene;SCHEMBL2939657;DTXSID30379438;MFCD02093305;AKOS025310414;1,1,2,3,3-Pentafluoro-3-iodo-1-propene;FT-0676423

Chemical Property of 3-Iodopentafluoropropene-1

Chemical Property:

• Vapor Pressure: 128mmHg at 25°C
• Refractive Index: 1.389
• Boiling Point: 53°C
• Flash Point: 17.5°C
• PSA: 0.00000
• Density: 2,109 g/cm3
• LogP: 3.09180
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 257.89649
• Heavy Atom Count: 9
• Complexity: 135

Purity/Quality:

98%Min ^*data from raw suppliers

3-Iodopentafluoropropene-1 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=C(F)F)(C(F)(F)I)F
• Uses: 3-Iodopentafluoropropene-1 is a reagent used in the preparation of polyfluoromethine dyes.

Technology Process of 3-Iodopentafluoropropene-1

There total 5 articles about 3-Iodopentafluoropropene-1 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: 87.0%

perfluoroallylfluorosulphate (67641-28-5) → perfluoroallyl iodide (431-65-2)

Guidance literature:

With potassium iodide; sodium iodide; In 1,2-dimethoxyethane; at 5 - 20 ℃; for 9h; Large scale;

Reference yield: 81.0%

Perfluoroallyl triflate (170162-62-6) → perfluoroallyl iodide (431-65-2)

Guidance literature:

With potassium iodide; In diethylene glycol dimethyl ether; at 0 - 25 ℃; for 1h;

DOI:10.1016/0022-1139(94)03210-Q

Reference yield:

3-chloro-1,1,2,3,3-pentafluoro-propene (79-47-0) → perfluoroallyl iodide (431-65-2)

Guidance literature:

With acetone; sodium iodide;

DOI:10.1021/ja01572a048

upstream raw materials:

3-chloro-1,1,2,3,3-pentafluoro-propene

perfluoroallylfluorosulphate

Perfluoroallyl triflate

1,2-dibromo-3-chloro-pentafluoro-propane

Downstream raw materials:

(1R,2S)-1-Iodo-2-pentafluoroallyl-cyclohexane

(1S,2S)-1-Iodo-2-pentafluoroallyl-cyclohexane

carbon monoxide

(E,Z)-perfluoro-2,4-hexadiene

Refernces

• 1、 Wlassics, Ivan,Tortelli, Vito,Carella, Serena,Monzani, Cristiano,Marchionni, Giuseppe. "Perfluoro allyl fluorosulfate (FAFS): A versatile building block for new fluoroallylic compounds". experimental part. p. 6512 - 6540. Retrieved 2011/10/13.
• 2、 Banks, Ronald E.,Birchall, J. Michael,Haszeldine, Robert N.,Nicholson, William J.. "Perfluoroallyl Fluorosulphonate". . p. 133 - 134. Retrieved 2007/10/02.