1,2,3,3,4,6,6-Heptafluorocyclohexa-1,4-diene

Base Information

• Chemical Name: 1,2,3,3,4,6,6-Heptafluorocyclohexa-1,4-diene
• CAS No.: 773-53-5
• Molecular Formula: C6HF7
• Molecular Weight: 206.063
• DSSTox Substance ID: DTXSID40507260
• Nikkaji Number: J736.230G
• Wikidata: Q82363381
• Mol file: 773-53-5.mol

Synonyms:773-53-5;1,2,3,3,4,6,6-Heptafluorocyclohexa-1,4-diene;SCHEMBL4036743;DTXSID40507260

Chemical Property of 1,2,3,3,4,6,6-Heptafluorocyclohexa-1,4-diene

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 205.99664717
• Heavy Atom Count: 13
• Complexity: 298

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C(C(=C(C1(F)F)F)F)(F)F)F

Technology Process of 1,2,3,3,4,6,6-Heptafluorocyclohexa-1,4-diene

There total 32 articles about 1,2,3,3,4,6,6-Heptafluorocyclohexa-1,4-diene 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: 75.0%

Pentafluorobenzene (363-72-4) → 2,3,3,4,5,6,6-heptafluorocyclohexa-1,4-diene (773-53-5)

Guidance literature:

With boron trifluoride; In dichloromethane; at 25 ℃; for 0.5h; Product distribution;

DOI:10.1021/jo00315a014

Reference yield: 35.0%

Pentafluorobenzene (363-72-4) → bromopentafluorobenzene (344-04-7) + 3-H-pentafluoro-2,5-cyclohexadien-1-one (60890-52-0) + 2,3,3,4,5,6,6-heptafluorocyclohexa-1,4-diene (773-53-5) + 2,3,3,4,5,6,6-heptafluoro-1-bromo-cyclohexa-1,4-diene (57113-81-2)

Guidance literature:

With bromine trifluoride; antimony pentafluoride; In fluorosulfonylchloride; at -90 - -80 ℃; for 0.5h;

DOI:10.1016/S0022-1139(00)81280-4

Reference yield: 19.0%

Pentafluorobenzene (363-72-4) → 1-chloro-2,3,4,5,6-pentafluorobenzene (344-07-0) + 2,3,3,4,5,6,6-heptafluoro-1-chloro-cyclohexa-1,4-diene (830-23-9) + 2,3,3,4,5,6,6-heptafluorocyclohexa-1,4-diene (773-53-5)

Guidance literature:

With chlorine trifluoride; boron trifluoride; In fluorosulfonylchloride; at -90 - -80 ℃; for 0.416667h;

DOI:10.1016/S0022-1139(00)81280-4

upstream raw materials:

1H,4H-octafluoro-cyclohexene

1H-heptafluorocyclohexa-1,3-diene

α,α,α-trifluorotoluene

octafluorocyclohexa-1,4-diene

Downstream raw materials:

2,3,5-trifluoro-1,4-dihydroxybenzene

Hexafluorobenzene

Pentafluorobenzene

octafluorocyclohexa-1,4-diene