CID 15265190

Base Information

• Chemical Name: CID 15265190
• CAS No.: 327-55-9
• Molecular Formula: C6H2F2O2
• Molecular Weight: 144.08
• DSSTox Substance ID: DTXSID001273256
• Nikkaji Number: J79.597F
• Mol file: 327-55-9.mol

Synonyms:327-55-9;SCHEMBL5051529;DTXSID001273256;2,5-difluorocyclohexa-2,5-diene-1,4-dione;2,5-Difluoro-2,5-cyclohexadiene-1,4-dione

Chemical Property of CID 15265190

Chemical Property:

• PSA: 34.14000
• LogP: 0.84500
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 144.00228563
• Heavy Atom Count: 10
• Complexity: 235

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of CID 15265190

There total 3 articles about CID 15265190 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: 74.0%

1,2,4,5-Tetrafluorobenzene (327-54-8) → 2,5-Difluoro-1,4-benzoquinone (327-55-9)

Guidance literature:

With 2CF₃SO₃H-B(OSO₂CF₃)3; nitric acid; at 20 ℃; for 0.5h;

DOI:10.1021/jo00127a048

Reference yield:

2,4,5-trifluoroaniline (367-34-0) → 2,5-Difluoro-1,4-benzoquinone (327-55-9)

Guidance literature:

Multi-step reaction with 2 steps

2: fuming H₂SO₄; fuming HNO₃

With sulfuric acid; nitric acid;

DOI:10.1021/ja01145a055

Reference yield:

1,2,4,5-Tetrafluorobenzene (327-54-8) + sulfuric acid (7664-93-9) + sulfur trioxide (7446-11-9) + nitric acid (7697-37-2,78989-43-2) → 2,5-Difluoro-1,4-benzoquinone (327-55-9)

Guidance literature:

DOI:10.1021/ja01145a055

upstream raw materials:

1,2,4,5-Tetrafluorobenzene

sulfuric acid

sulfur trioxide

nitric acid