2-Fluoro-6-(trifluoromethyl)phenacyl bromide

Base Information

• Chemical Name: 2-Fluoro-6-(trifluoromethyl)phenacyl bromide
• CAS No.: 223785-85-1
• Molecular Formula: C9H5BrF4O
• Molecular Weight: 285.036
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID40381128
• Wikidata: Q82171762
• Mol file: 223785-85-1.mol

Synonyms:2-Fluoro-6-(trifluoromethyl)phenacyl bromide;223785-85-1;2-bromo-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;2-Bromo-1-(2-fluoro-6-(trifluoromethyl)phenyl)ethanone;2-bromo-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethan-1-one;SCHEMBL2096065;DTXSID40381128;DMNJIOWQNVZGTK-UHFFFAOYSA-N;YIA78585;MFCD03094503;AKOS025294938;PS-9887;CS-0205901

Chemical Property of 2-Fluoro-6-(trifluoromethyl)phenacyl bromide

Chemical Property:

• Boiling Point: 252.2±40.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.658±0.06 g/cm3(Predicted)
• LogP: 3.42210
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 283.94599
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-6-(trifluoromethyl)phenacyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Fluoro-6-(trifluoromethyl)phenacyl bromide

There total 1 articles about 2-Fluoro-6-(trifluoromethyl)phenacyl bromide 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:

2'-fluoro-6'-(trifluoro-methyl)acetophenone (174013-29-7) → 2-bromo-2'-fluoro-6'-trifluoromethyl-acetophenone (223785-85-1)

Guidance literature:

With 4-dimethylaminopyridine tribromide; acetic acid;

DOI:10.1055/s-2002-33539

Reference yield: 74.0%

CYANAMID (420-04-2) + 1-(4-isothiocyanato-phenyl)-4-methyl-piperazine (23861-85-0) + 2-bromo-2'-fluoro-6'-trifluoromethyl-acetophenone (223785-85-1) → {4-amino-2-[4-(4-methyl-piperazin-1-yl)-phenylamino]-thiazol-5-yl}-(2-fluoro-6-trifluoromethyl-phenyl)-methanone

Guidance literature:

Reference yield: 21.0%

CYANAMID (420-04-2) + 4-isothiocyanatobenzene sulfonamide (51908-29-3) + 2-bromo-2'-fluoro-6'-trifluoromethyl-acetophenone (223785-85-1) → 4-[4-Amino-5-(2-fluoro-6-trifluoromethyl-benzoyl)-thiazol-2-ylamino]-benzenesulfonamide

Guidance literature:

upstream raw materials:

2'-fluoro-6'-(trifluoro-methyl)acetophenone