Pentafluorophenylacetylene

Base Information

• Chemical Name: Pentafluorophenylacetylene
• CAS No.: 5122-07-6
• Molecular Formula: C8HF5
• Molecular Weight: 192.088
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID00412942
• Nikkaji Number: J1.354.304F
• Mol file: 5122-07-6.mol

Synonyms:Pentafluorophenylacetylene;5122-07-6;1-ethynyl-2,3,4,5,6-pentafluorobenzene;1-ethynyl-2,3,4,5,6-pentafluoro-benzene;Ethynylpentafluorobenzene;Pentafluorophenylacetylide;(Pentafluorophenyl)acetylene;SCHEMBL952555;DTXSID00412942;MFCD08703496;AKOS006289770;CS-0311809

Chemical Property of Pentafluorophenylacetylene

Chemical Property:

• Vapor Pressure: 10mmHg at 25°C
• Refractive Index: 1.435
• Boiling Point: 134.4°C at 760 mmHg
• Flash Point: 38.9°C
• PSA: 0.00000
• Density: 1.45g/cm³
• LogP: 2.36340
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 191.99984084
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

1-ETHYNYL-2,3,4,5,6-PENTAFLUORO-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#CC1=C(C(=C(C(=C1F)F)F)F)F

Technology Process of Pentafluorophenylacetylene

There total 13 articles about Pentafluorophenylacetylene 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: 95.0%

((trimethylsilyl)ethynyl)pentafluorobenzene (52168-00-0) → 2,3,4,5,6-pentafluorophenylacetylene (5122-07-6)

Guidance literature:

With potassium hydroxide; In methanol; for 0.416667h; Ambient temperature;

DOI:10.1021/jo00246a018

Reference yield: 50.0%

1-fluoro 1-(pentafluorophenyl) 2,2-dichloro ethane (15503-65-8) → 2,3,4,5,6-pentafluorophenylacetylene (5122-07-6) + 4-Butyl-1-ethynyl-2,3,5,6-tetrafluorobenzene (121134-14-3)

Guidance literature:

With n-butyllithium;

DOI:10.1016/S0022-1139(00)85570-0

Reference yield:

Hexafluorobenzene (392-56-3) + acetylene (74-86-2,25067-58-7) → Butadiyne (460-12-8,27987-87-7) + fluoroethyne (2713-09-9) + 3,3,3-trifluoroprop-1-yne (661-54-1) + Pentafluorobenzene (363-72-4) + 2,3,4,5,6-pentafluorophenylacetylene (5122-07-6)

Guidance literature:

Mechanism; Irradiation;

DOI:10.1021/j100286a014

upstream raw materials:

<(Pentafluorphenyl)ethynyl>triaethylsilan

1-fluoro 1-(pentafluorophenyl) 2,2-dichloro ethane

((trimethylsilyl)ethynyl)pentafluorobenzene

Hexafluorobenzene

Downstream raw materials:

1,4-[bis(pentafluorophenyl)]-1,3-butadiyne

(E)-2-(pentafluorophenyl)ethenyl iodide

(E)-2-(pentafluorophenyl)ethenyl bromide

3-phenyl-4-pentafluorophenylisoxazole

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