1-Iodo-1H,1H-nonafluoropentane

Base Information

• Chemical Name: 1-Iodo-1H,1H-nonafluoropentane
• CAS No.: 2253-14-7
• Molecular Formula: C5H2F9I
• Molecular Weight: 359.961
• Hs Code.: 2903799090
• DSSTox Substance ID: DTXSID30395178
• Wikidata: Q82195093
• Mol file: 2253-14-7.mol

Synonyms:1-Iodo-1H,1H-nonafluoropentane;2253-14-7;1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane;DTXSID30395178;HFCSJMGXADMMTI-UHFFFAOYSA-N;1H,1H-Perfluoropentyl iodide, 1-iodo-1H,1H-nonafluoropentane;MFCD00233025;AKOS016015356;CS-0450099;FT-0676835;Pentane,1,1,1,2,2,3,3,4,4-nonafluoro-5-iodo-

Chemical Property of 1-Iodo-1H,1H-nonafluoropentane

Chemical Property:

• Vapor Pressure: 19.7mmHg at 25°C
• Refractive Index: 1.359
• Boiling Point: 118.7 °C at 760 mmHg
• Flash Point: 42.8 °C
• PSA: 0.00000
• Density: 2.009 g/cm³
• LogP: 3.88960
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 359.90575
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

99%, ^*data from raw suppliers

1-Iodo-1H,1H-nonafluoropentane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Iodo-1H,1H-nonafluoropentane

There total 3 articles about 1-Iodo-1H,1H-nonafluoropentane 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: 74.0%

vinylmagnesium chloride (3536-96-7) + Phenyltrichlorosilane (98-13-5) → diphenyldivinylsilane (18042-57-4)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 16h; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1515/znb-2017-0031

Reference yield: 68.0%

vinyl magnesium bromide (1826-67-1) + Phenyltrichlorosilane (98-13-5) → diphenyldivinylsilane (18042-57-4)

Guidance literature:

In tetrahydrofuran; at -40 - 0 ℃; for 3h;

Reference yield:

Vinylidene fluoride (75-38-7) + 1,1,1,2,2,3,3-heptafluoro-3-iodo-propane (754-34-7) → 1,1,1,2,2,3,3,5,5-nonafluoro-5-iodo-pentane (755-46-4) + 1,1,1,2,2,3,3,4,4-nonafluoro-5-iodo-pentane (2253-14-7)

Guidance literature:

DOI:10.1021/ja01496a049

upstream raw materials:

vinylmagnesium chloride

Phenyltrichlorosilane

Vinylidene fluoride

1,1,1,2,2,3,3-heptafluoro-3-iodo-propane

Refernces

• 1、 Schaubach, Sebastian,Gebauer, Konrad,Ungeheuer, Felix,Hoffmeister, Laura,Ilg, Marina K.,Wirtz, Conny,Fürstner, Alois. "A Two-Component Alkyne Metathesis Catalyst System with an Improved Substrate Scope and Functional Group Tolerance: Development and Applications to Natural Product Synthesis". supporting information. p. 8494 - 8507. Retrieved 2016/07/11.