2,3,4,5-Tetrachloro-6-(trifluoromethyl)benzoyl fluoride

Base Information

• Chemical Name: 2,3,4,5-Tetrachloro-6-(trifluoromethyl)benzoyl fluoride
• CAS No.: 114566-70-0
• Molecular Formula: C8Cl4F4O
• Molecular Weight: 329.893
• DSSTox Substance ID: DTXSID90552023
• Wikidata: Q82431985
• Mol file: 114566-70-0.mol

Synonyms:114566-70-0;2,3,4,5-Tetrachloro-6-(trifluoromethyl)benzoyl fluoride;DTXSID90552023

Chemical Property of 2,3,4,5-Tetrachloro-6-(trifluoromethyl)benzoyl fluoride

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 329.860988
• Heavy Atom Count: 17
• Complexity: 310

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(F)(F)F)C(=O)F

Technology Process of 2,3,4,5-Tetrachloro-6-(trifluoromethyl)benzoyl fluoride

There total 2 articles about 2,3,4,5-Tetrachloro-6-(trifluoromethyl)benzoyl fluoride 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:

tetrachlorophthalic anhydride (117-08-8) → 4,5,6,7-tetrachloro-1,1,3,3-tetrafluoro-1,3-dihydroisobenzofuran (20687-94-9) + 3,4,5,6-tetrachloro-2-(trifluoromethyl)benzoyl fluoride (114566-70-0)

Guidance literature:

With sulfur tetrafluoride; hydrogen fluoride; at 190 - 200 ℃; for 16h;

DOI:10.1016/S0022-1139(00)81978-8

Reference yield:

4,5,6,7-tetrachloro-1,1,3,3-tetrafluoro-1,3-dihydroisobenzofuran (20687-94-9) → 3,4,5,6-tetrachloro-2-(trifluoromethyl)benzoyl fluoride (114566-70-0)

Guidance literature:

With hydrogen fluoride; at 300 ℃; for 10h;

DOI:10.1016/S0022-1139(00)80485-6

Reference yield: 8.1%

3,4,5,6-tetrachloro-2-(trifluoromethyl)benzoyl fluoride (114566-70-0) → 3,4,5,6-tetrachloro-2-(trifluoromethyl)benzoic acid

Guidance literature:

With sodium acetate; acetic acid; Heating;

DOI:10.1016/S0022-1139(00)81978-8

upstream raw materials:

4,5,6,7-tetrachloro-1,1,3,3-tetrafluoro-1,3-dihydroisobenzofuran

tetrachlorophthalic anhydride

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