Perfluorosebaconitrile

Base Information

• Chemical Name: Perfluorosebaconitrile
• CAS No.: 2342-09-8
• Molecular Formula: C₁₀F₁₆N₂
• Molecular Weight: 452.098
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID80380019
• Nikkaji Number: J1.341.930B
• Wikidata: Q82170043
• Mol file: 2342-09-8.mol

Synonyms:Perfluorosebaconitrile;2342-09-8;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedinitrile;Hexafluorosebaconitrile;DTXSID80380019;BQBPZGPUHIVSAM-UHFFFAOYSA-N;MFCD00042366;AKOS015852567;CS-0450192;FT-0676422

Chemical Property of Perfluorosebaconitrile

Chemical Property:

• Vapor Pressure: 0.334mmHg at 25°C
• Refractive Index: 1.3039
• Boiling Point: 199.8°Cat760mmHg
• Flash Point: 74.7°C
• PSA: 47.58000
• Density: 1.687g/cm³
• LogP: 5.11596
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 7
• Exact Mass: 451.9805986
• Heavy Atom Count: 28
• Complexity: 654

Purity/Quality:

98% ^*data from raw suppliers

Perfluorosebaconitrile 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 23-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Perfluorosebaconitrile

There total 3 articles about Perfluorosebaconitrile 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: 80.0%

perfluorosebacic acid diamide (307-77-7) → perfluorosebaconitrile (2342-09-8,25302-65-2)

Guidance literature:

With P₄O₁₀; byproducts: HPO3; at 100 to 300°C;

Reference yield:

Perfluordodecan-1,12-dicarbonsaeure (2822-93-7) → perfluorosebaconitrile (2342-09-8,25302-65-2)

Guidance literature:

Multi-step reaction with 3 steps

1: FSO₃H

2: NH₃ / diethyl ether

3: P₂O₅

With ammonia; fluorosulphonic acid; phosphorus pentoxide; In diethyl ether;

DOI:10.1007/BF00846975

Reference yield:

Perfluordodecan-1,12-dicarbonsaeure-diethylester (3799-53-9) → perfluorosebaconitrile (2342-09-8,25302-65-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₃ / diethyl ether

2: P₂O₅

With ammonia; phosphorus pentoxide; In diethyl ether;

DOI:10.1007/BF00846975

upstream raw materials:

perfluorosebacic acid diamide

Perfluordodecan-1,12-dicarbonsaeure

Perfluordodecan-1,12-dicarbonsaeure-diethylester

Downstream raw materials:

perfluorosebacodiamidine