4-Bromo-4'-fluorobenzophenone

Base Information

• Chemical Name: 4-Bromo-4'-fluorobenzophenone
• CAS No.: 2069-41-2
• Molecular Formula: C13H8BrFO
• Molecular Weight: 279.108
• Hs Code.: 2914700090
• European Community (EC) Number: 218-193-7
• DSSTox Substance ID: DTXSID00174750
• Nikkaji Number: J298.682E
• Wikidata: Q83044868
• Mol file: 2069-41-2.mol

Synonyms:4-Bromo-4'-fluorobenzophenone;2069-41-2;(4-bromophenyl)(4-fluorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;C13H8BrFO;Methanone, (4-bromophenyl)(4-fluorophenyl)-;EINECS 218-193-7;4-Fluoro-4'-bromobenzophenone;C13-H8-Br-F-O;SCHEMBL2892140;4- bromo-4'-fluorobenzophenone;DTXSID00174750;MFCD00672035;AKOS005067741;FS-4801;(4-bromophenyl)(4'-fluorophenyl)methanone;CS-0206216;A18434;E78032;1-(4-Bromophenyl)-1-(4-fluorophenyl)methanone

Chemical Property of 4-Bromo-4'-fluorobenzophenone

Chemical Property:

• Melting Point: 107-108 °C
• Boiling Point: 353.4±22.0 °C(Predicted)
• Flash Point: 167.5oC
• PSA: 17.07000
• Density: 1.485±0.06 g/cm3(Predicted)
• LogP: 3.81920
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 277.97426
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-4''-fluorobenzophenone ^*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)Br)F

Technology Process of 4-Bromo-4'-fluorobenzophenone

There total 10 articles about 4-Bromo-4'-fluorobenzophenone 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: 93.0%

fluorobenzene (462-06-6) + 4-chlorobenzoyl chloride (586-75-4) → (4-bromophenyl)-(4-fluorophenyl)methanone (2069-41-2)

Guidance literature:

With aluminium trichloride; In carbon disulfide;

DOI:10.1135/cccc19842649

Reference yield: 85.0%

fluorobenzene (462-06-6) + 4-Bromobenzoic acid (586-76-5) → (4-bromophenyl)-(4-fluorophenyl)methanone (2069-41-2)

Guidance literature:

4-Bromobenzoic acid; With thionyl chloride; at 20 ℃; for 3h;

fluorobenzene; With aluminum (III) chloride; Inert atmosphere; Reflux;

Reference yield: 62.0%

4-bromo-4α-fluorodiphenylmethane (17100-44-6) → (4-bromophenyl)-(4-fluorophenyl)methanone (2069-41-2)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); oxygen; In acetonitrile; at 75 ℃; for 32h;

DOI:10.1016/j.tetlet.2020.152806

upstream raw materials:

bromobenzene

4-fluorobenzoyl chloride

fluorobenzene

4-chlorobenzoyl chloride

Downstream raw materials:

1-(4-bromophenyl)-1-(4-fluorophenyl)ethanol

4'-fluoro-4-(4-fluorophenylethynyl)benzophenone

4-fluoro-4'-phenylethynylbenzophenone

N,N-dimethyl-2-<1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy>ethylamine