2-(Trifluoromethyl)benzoyl fluoride

Base Information

• Chemical Name: 2-(Trifluoromethyl)benzoyl fluoride
• CAS No.: 312-96-9
• Molecular Formula: C8H4F4O
• Molecular Weight: 192.113
• Hs Code.: 2916399090
• European Community (EC) Number: 206-235-7
• UNII: 26635ZC6GJ
• DSSTox Substance ID: DTXSID30185132
• Nikkaji Number: J193.730H
• Mol file: 312-96-9.mol

Synonyms:2-(Trifluoromethyl)benzoyl fluoride;312-96-9;EINECS 206-235-7;trifluoromethylbenzoyl fluoride;26635ZC6GJ;Benzoyl fluoride, 2-(trifluoromethyl)-;UNII-26635ZC6GJ;SCHEMBL5794560;2-trifluoromethylbenzoyl fluoride;DTXSID30185132;MFCD00085363;AKOS006274899

Chemical Property of 2-(Trifluoromethyl)benzoyl fluoride

Chemical Property:

• Vapor Pressure: 0.634mmHg at 25°C
• Boiling Point: 187.3°Cat760mmHg
• Flash Point: 68.8°C
• PSA: 17.07000
• Density: 1.339g/cm³
• LogP: 2.81510
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 192.01982740
• Heavy Atom Count: 13
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

2-(TRIFLUOROMETHYL)BENZOYL FLUORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Trifluoromethyl)benzoyl fluoride

There total 11 articles about 2-(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: 98.9%

α,α,α-trichloro-o-toluic chloride (76716-56-8) → 2-(trifluoromethyl)benzoyl fluoride (312-96-9)

Guidance literature:

With hydrogen fluoride; at 70 - 90 ℃; for 10.5h; under 11251.1 Torr; Autoclave;

Reference yield: 71.0%

1,1,3,3-tetrachloro-1,3-dihydroisobenzofuran (3199-08-4) → 2-(trifluoromethyl)benzoyl fluoride (312-96-9)

Guidance literature:

With hydrogen fluoride; sodium fluoride;

Reference yield: 50.0%

2-trifluoromethylbenzoyl chloride (312-94-7) → 2-(trifluoromethyl)benzoyl fluoride (312-96-9)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; In tetrahydrofuran; at 40 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1039/c8cc08504h

upstream raw materials:

α,α,α-trichloro-o-toluic chloride

phthaloyl fluoride

benzene-1,2-dicarboxylic acid

phthalimide

Downstream raw materials:

2-trifluoromethylbenzoic acid

4,4,5,5-tetramethyl-2-(2-(trifluoromethyl)phenyl)-1,3,2-dioxaborolane

1-(phenylethynyl)-2-(trifluoromethyl)benzene

2-trifluoromethyl-benzoic acid methyl ester

Refernces

• 1、 -. "Synthesis method of o-trifluoromethyl methyl benzoate, m-trifluoromethyl methyl benzoate and p-trifluoromethyl methyl benzoate". Paragraph 0014-0015. . Retrieved 2018/03/01.
• 2、 Dmowski, W.. "The Reaction of 3,4,5,6-Tetrahydrophthalic Anhydride with Sulphur Tetrafluoride. A Discovery of Dehydrogenating Properties of SF4". . p. 2175 - 2180. Retrieved 2007/10/02.