1,1,1,2,2-Pentafluoro-3-iodopropane

Base Information

• Chemical Name: 1,1,1,2,2-Pentafluoro-3-iodopropane
• CAS No.: 354-69-8
• Molecular Formula: C3H2F5I
• Molecular Weight: 259.945
• Hs Code.: 2903799090
• European Community (EC) Number: 206-568-8
• NSC Number: 141151
• UNII: 5YQ9ZAZ5P4
• DSSTox Substance ID: DTXSID5059870
• Nikkaji Number: J193.833I
• Wikidata: Q81985253
• Mol file: 354-69-8.mol

Synonyms:354-69-8;1,1,1,2,2-Pentafluoro-3-iodopropane;3-Iodo-1,1,1,2,2-pentafluoropropane;1-IODO-2,2,3,3,3-PENTAFLUOROPROPANE;2,2,3,3,3-Pentafluoropropyl iodide;Propane, 1,1,1,2,2-pentafluoro-3-iodo-;Pentafluoropropyl iodide;1H,1H-Pentafluoropropyl iodide;EINECS 206-568-8;MFCD00039405;NSC 141151;NSC-141151;CF3CF2CH2I;5YQ9ZAZ5P4;(Perfluoroethyl)methyl iodide;C3H2F5I;SCHEMBL506369;DTXSID5059870;C3-H2-F5-I;2,3,3,3-Pentafluoropropyl iodide;1H,1H-Pentafluoro-n-propyl iodide;C(F)(F)(CI)C(F)(F)F;BBL103997;NSC141151;STL557807;AKOS016015377;FS-5887;Propane,1,1,2,2-pentafluoro-3-iodo-;2,2,3,3,3-Pentafluoro-n-propyl iodide;1,1,1,2,2-Pentafluoro-3-iodopropane #;FT-0605900;1,1,1,2,2-Pentafluoro-3-iodopropane, 96%

Chemical Property of 1,1,1,2,2-Pentafluoro-3-iodopropane

Chemical Property:

• Vapor Pressure: 149mmHg at 25°C
• Refractive Index: 1.373
• Boiling Point: 68.8 °C at 760 mmHg
• Flash Point: 16.4 °C
• PSA: 0.00000
• Density: 2.092 g/cm³
• LogP: 2.61900
• Sensitive.: Light Sensitive
• Water Solubility.: Insoluble in water.
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 259.91214
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

99% ^*data from raw suppliers

1-Iodo-2,2,3,3,3-pentafluoropropane 98% ^*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(F)(F)F)(F)F)I
• Uses: 1,1,1,2,2-Pentafluoro-3-iodopropane is used to produce 1,1,1,2,2-pentafluoro-propane by heating. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.

Technology Process of 1,1,1,2,2-Pentafluoro-3-iodopropane

There total 2 articles about 1,1,1,2,2-Pentafluoro-3-iodopropane 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:

2,2,3,3,3-pentafluoro-1-propyl 4-toluenesulfonate (565-42-4) → 2,2,3,3,3-pentafluoro-n-propyl iodide (354-69-8)

Guidance literature:

With potassium iodide; diethylene glycol;

DOI:10.1021/ja01616a078

Reference yield:

C21H17F5OP(1+)*I(1-) → 2,2,3,3,3-pentafluoro-n-propyl iodide (354-69-8)

Guidance literature:

In solid; at 160 - 190 ℃; Yield given;

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

Reference yield: 91.0%

2,2,3,3,3-pentafluoro-n-propyl iodide (354-69-8) → 1,1,1,2,2-pentafluoropropane (1814-88-6)

Guidance literature:

With tri-n-butyl-tin hydride; for 2h; Heating;

DOI:10.1016/0022-1139(94)03153-Q

upstream raw materials:

2,2,3,3,3-pentafluoro-1-propyl 4-toluenesulfonate

Downstream raw materials:

1,1,1,2,2-pentafluoropropane

(Z)-2,3,3,3-tetrafluoro-1-iodoprop-1-ene

1--1H,1H-perfluoropropane

trifluoroacetic acid

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.