4-Fluoro-4'-(trifluoromethyl)benzophenone

Base Information

• Chemical Name: 4-Fluoro-4'-(trifluoromethyl)benzophenone
• CAS No.: 16574-52-0
• Molecular Formula: C14H8 F4 O
• Molecular Weight: 268.211
• Hs Code.: 2914700090
• European Community (EC) Number: 240-633-1
• UNII: VX35XTW5QH
• DSSTox Substance ID: DTXSID90168022
• Nikkaji Number: J318.254A
• Wikidata: Q83037538
• Mol file: 16574-52-0.mol

Synonyms:16574-52-0;(4-Fluorophenyl)[4-(trifluoromethyl)phenyl]methanone;4-Fluoro-4'-(trifluoromethyl)benzophenone;(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methanone;EINECS 240-633-1;Methanone, (4-fluorophenyl)[4-(trifluoromethyl)phenyl]-;4-Fluoro-4'-trifluoromethylbenzophenone;4-Fluoro-4/'-(trifluoromethyl)benzophenone;C14H8F4O;Methanone, (4-fluorophenyl)(4-(trifluoromethyl)phenyl)-;4-Trifluoromethylphenyl-4-fluorophenyl ketone;VX35XTW5QH;SCHEMBL7937285;DTXSID90168022;C14-H8-F4-O;AKOS005216869;EN300-129830;(4-Fluorophenyl)[4-(trifluoromethyl)phenyl]methanone #;Z385412728

Chemical Property of 4-Fluoro-4'-(trifluoromethyl)benzophenone

Chemical Property:

• Boiling Point: 315.7oC at 760 mmHg
• Flash Point: 121.1oC
• PSA: 17.07000
• Density: 1.306g/cm3
• LogP: 4.07550
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 268.05112752
• Heavy Atom Count: 19
• Complexity: 310

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-4'-(trifluoromethyl)benzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)F)C(F)(F)F

Technology Process of 4-Fluoro-4'-(trifluoromethyl)benzophenone

There total 10 articles about 4-Fluoro-4'-(trifluoromethyl)benzophenone 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: 100.0%

4-CF3C6H4CN (455-18-5) + 4-flourophenylmagnesium bromide (352-13-6) → (4-fluorophenyl)-(4-(trifluoromethyl)phenyl)methanone (16574-52-0)

Guidance literature:

4-CF₃C₆H₄CN; 4-flourophenylmagnesium bromide; In tetrahydrofuran; at 67 ℃; for 6h; Inert atmosphere;

With sulfuric acid; water; In tetrahydrofuran; Inert atmosphere;

DOI:10.1002/jlcr.1565

Reference yield: 98.0%

fluorobenzene (462-06-6) + 4-trifluoromethyl-phenyl acetyl chloride (329-15-7) → (4-fluorophenyl)-(4-(trifluoromethyl)phenyl)methanone (16574-52-0)

Guidance literature:

With trifluorormethanesulfonic acid; at 100 ℃; for 144h;

DOI:10.1080/00397910701465479

Reference yield: 92.1%

→ (4-fluorophenyl)-(4-(trifluoromethyl)phenyl)methanone (16574-52-0)

Guidance literature:

upstream raw materials:

fluorobenzene

4-trifluoromethyl-phenyl acetyl chloride

4-trifluoromethylbenzoic acid

4-CF₃C₆H₄CN

Downstream raw materials:

Potassium; 4-(4-trifluoromethyl-benzoyl)-phenolate

N,N,N-trimethyl-4-(4-(trifluoromethyl)benzoyl)phenylammonium trifluoromethylsulfonate

C₂₆H₁₇Cl₂FO₂

4-Trifluormethyl-4'-fluorbenzophenon-guanylhydrazon