3,4'-Bis(trifluoromethyl)benzophenone

Base Information

• Chemical Name: 3,4'-Bis(trifluoromethyl)benzophenone
• CAS No.: 21084-22-0
• Molecular Formula: C15H8 F6 O
• Molecular Weight: 318.218
• Hs Code.: 2914700090
• European Community (EC) Number: 642-757-5
• DSSTox Substance ID: DTXSID00352915
• Wikidata: Q82130337
• Mol file: 21084-22-0.mol

Synonyms:21084-22-0;3,4'-Bis(trifluoromethyl)benzophenone;(3-(Trifluoromethyl)phenyl)(4-(trifluoromethyl)phenyl)methanone;[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone;[3-(trifluoromethyl)phenyl][4-(trifluoromethyl)phenyl]methanone;Methanone,[3-(trifluoromethyl)phenyl][4-(trifluoromethyl)phenyl]-;SCHEMBL2941622;DTXSID00352915;AMY31916;Methanone, [3-(trifluoromethyl)phenyl][4-(trifluoromethyl)phenyl]-;MFCD00013561;AKOS005257680;PS-7057;Benzophenone, 3,4'-bis(trifluoromethyl)-;CS-0313647;FT-0614191;A815128

Chemical Property of 3,4'-Bis(trifluoromethyl)benzophenone

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 95-97 °C(lit.)
• Boiling Point: 326.4 °C at 760 mmHg
• Flash Point: 125.1 °C
• PSA: 17.07000
• Density: 1.356 g/cm³
• LogP: 4.95520
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 318.04793385
• Heavy Atom Count: 22
• Complexity: 392

Purity/Quality:

97% ^*data from raw suppliers

(3-(Trifluoromethyl)phenyl)(4-(trifluoromethyl)phenyl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4'-Bis(trifluoromethyl)benzophenone

There total 1 articles about 3,4'-Bis(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:

p-trifluoromethylphenyl bromide (402-43-7) + 3-Trifluoromethylbenzaldehyde (454-89-7) → 3,4'-Bis(trifluoromethyl)benzophenone (21084-22-0)

Guidance literature:

Multistep reaction; (i) Mg, Et₂O, (ii) /BRN= 2327537/, (iii) aq. Na₂Cr₂O₇, H₂SO₄, AcOH, benzene;

DOI:10.1021/jm00301a006

Reference yield:

3,4'-Bis(trifluoromethyl)benzophenone (21084-22-0) + methyl-d3-magnesium iodide (41251-37-0) → C16H8(2)H2F6

Guidance literature:

With toluene-4-sulfonic acid; Multistep reaction; 2.) benzene, reflux;

DOI:10.1021/jo9620526

Reference yield:

3,4'-Bis(trifluoromethyl)benzophenone (21084-22-0) + 1-aminoguanidine hydrochloride (1937-19-5,16139-18-7) → 4,3'-Bis-(trifluormethyl)-benzophenon-guanylhydrazon (19982-68-4)

Guidance literature:

With hydrogenchloride; In ethylene glycol;

DOI:10.1021/jm00301a006

upstream raw materials:

p-trifluoromethylphenyl bromide

3-Trifluoromethylbenzaldehyde

Downstream raw materials:

4,3'-Bis-(trifluormethyl)-benzophenon-guanylhydrazon