2,2,3,3,4,4,5,5,5-Nonafluoropentanenitrile

Base Information

• Chemical Name: 2,2,3,3,4,4,5,5,5-Nonafluoropentanenitrile
• CAS No.: 22325-71-9
• Molecular Formula: C₅F₉N
• Molecular Weight: 245.047
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID60382157
• Nikkaji Number: J1.050.025G
• Wikidata: Q82173476
• Mol file: 22325-71-9.mol

Synonyms:nonafluoropentanenitrile;22325-71-9;Nonafluoropentanitrile;2,2,3,3,4,4,5,5,5-nonafluoropentanenitrile;perfluorovaleronitrile;Nonafluorovaleronitrile;SCHEMBL17356129;DTXSID60382157;FVBKAFXHWXBINM-UHFFFAOYSA-N;MFCD04039182;AKOS016015348;A816109;2,2,3,3,4,4,5,5,5-nonakis(fluoranyl)pentanenitrile

Chemical Property of 2,2,3,3,4,4,5,5,5-Nonafluoropentanenitrile

Chemical Property:

• Vapor Pressure: 315mmHg at 25°C
• Refractive Index: 1.274
• Boiling Point: 48.1°Cat760mmHg
• Flash Point: °C
• PSA: 23.79000
• Density: 1.594g/cm³
• LogP: 2.97818
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 244.98870246
• Heavy Atom Count: 15
• Complexity: 291

Purity/Quality:

99%, ^*data from raw suppliers

NONAFLUOROPENTANITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Technology Process of 2,2,3,3,4,4,5,5,5-Nonafluoropentanenitrile

There total 2 articles about 2,2,3,3,4,4,5,5,5-Nonafluoropentanenitrile 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: 60.0%

phenyl cyanate (1122-85-6) + (perfluorobutyl)magnesium bromide (82416-69-1) → nonafluorovaleronitrile (22325-71-9)

Guidance literature:

In diethyl ether; at -15 ℃; for 2h;

DOI:10.1016/S0022-1139(00)82216-2

Reference yield:

→ nonafluorovaleronitrile (22325-71-9)

Guidance literature:

DOI:10.1021/ja00894a015

Reference yield: 3.0%

1-(2-hydroxy-4,6-dimethylphenyl)ethanone (16108-50-2) + nonafluorovaleronitrile (22325-71-9) → (Z)-3-Amino-4,4,5,5,6,6,7,7,7-nonafluoro-1-(2-hydroxy-4,6-dimethyl-phenyl)-hept-2-en-1-one

Guidance literature:

With N-Ethylanilinomagnesium bromide;

DOI:10.1007/BF02498966

upstream raw materials:

phenyl cyanate

(perfluorobutyl)magnesium bromide

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