1H-Perfluorooct-1-yne

Base Information

• Chemical Name: 1H-Perfluorooct-1-yne
• CAS No.: 55756-24-6
• Molecular Formula: C8HF13
• Molecular Weight: 344.075
• Hs Code.: 2903590090
• European Community (EC) Number: 690-822-1
• DSSTox Substance ID: DTXSID70379997
• Nikkaji Number: J589.428J
• Wikidata: Q82170024
• Mol file: 55756-24-6.mol

Synonyms:1H-Perfluorooct-1-yne;55756-24-6;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-yne;(Perfluoro-n-hexyl)acetylene;Tridecafluorohexylethyne;2-(Perfluorohexyl)ethyne;SCHEMBL672488;DTXSID70379997;MFCD00042347;AKOS016016008;BS-28547;FT-0607910;A830793;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-octyne;3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-oct-1-yne;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)oct-1-yne

Chemical Property of 1H-Perfluorooct-1-yne

Chemical Property:

• Vapor Pressure: 61.9mmHg at 25°C
• Refractive Index: 1.288
• Boiling Point: 91.1°Cat760mmHg
• Flash Point: 19.8°C
• PSA: 0.00000
• Density: 1.596g/cm³
• LogP: 4.35840
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 343.9870661
• Heavy Atom Count: 21
• Complexity: 445

Purity/Quality:

98%Min ^*data from raw suppliers

1H-Perfluorooct-1-yne ^*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#CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Technology Process of 1H-Perfluorooct-1-yne

There total 4 articles about 1H-Perfluorooct-1-yne 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: 76.0%

n-perfluorohexyl iodide (355-43-1) + meparfynol (77-75-8) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane (355-37-3) + 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-yne (55756-24-6)

Guidance literature:

With sodium hydroxide; 2,2'-azobis(isobutyronitrile); at 80 ℃;

Reference yield: 53.0%

n-perfluorohexyl iodide (355-43-1) + 1-Phenyl-2-propyn-1-ol (4187-87-5) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane (355-37-3) + 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-yne (55756-24-6)

Guidance literature:

With sodium hydroxide; 2,2'-azobis(isobutyronitrile); at 80 ℃;

Reference yield: 34.0%

n-perfluorohexyl iodide (355-43-1) + but-3-yn-2-ol (2028-63-9) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane (355-37-3) + 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-yne (55756-24-6)

Guidance literature:

With sodium hydroxide; 2,2'-azobis(isobutyronitrile); at 80 ℃;

upstream raw materials:

n-perfluorohexyl iodide

but-3-yn-2-ol

2-methyl-but-3-yn-2-ol

1-Phenyl-2-propyn-1-ol

Downstream raw materials:

dibenzyl-(1H,2H-tridecafluoro-oct-1-enyl)-amine

1-Nitro-3-tridecafluorooct-1-ynyl-benzene

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-one

(E)-1-Dibenzylamino-4,4,5,5,6,6,7,7,8,8,8-undecafluoro-oct-1-en-3-one