1-Bromo-3-chloro-5-(trifluoromethoxy)benzene

Base Information

• Chemical Name: 1-Bromo-3-chloro-5-(trifluoromethoxy)benzene
• CAS No.: 1417567-41-9
• Molecular Formula: C₇H₃BrClF₃O
• Molecular Weight: 275.452
• Hs Code.: 2909309090
• European Community (EC) Number: 959-371-0
• Mol file: 1417567-41-9.mol

Synonyms:1-bromo-3-chloro-5-(trifluoromethoxy)benzene;1417567-41-9;3-Bromo-5-chloro-1-(trifluoromethoxy)benzene;MFCD11856023;SCHEMBL10872626;HGPFOMWNRNCDMI-UHFFFAOYSA-N;BBL103550;STL557360;AKOS016016538;3-Chloro-5-(trifluoromethoxy)bromobenzene;MS-20655;DB-375106;CS-0188793

Chemical Property of 1-Bromo-3-chloro-5-(trifluoromethoxy)benzene

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 273.90079
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

98% ^*data from raw suppliers

1-Bromo-3-chloro-5-(trifluoromethoxy)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Br)OC(F)(F)F

Technology Process of 1-Bromo-3-chloro-5-(trifluoromethoxy)benzene

There total 1 articles about 1-Bromo-3-chloro-5-(trifluoromethoxy)benzene 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:

silver(I) trifluoromethoxide (1006904-72-8) + 3-bromo-5-chlorophenylamine (96558-78-0) → 1-bromo-3-chloro-5-(trifluoromethoxy)benzene (1417567-41-9)

Guidance literature:

3-bromo-5-chlorophenylamine; With tetrafluoroboric acid; tert.-butylnitrite; In ethanol; at 0 - 20 ℃; for 1h; Schlenk technique;

silver(I) trifluoromethoxide; In acetonitrile; at -40 - 20 ℃;

DOI:10.1021/acs.orglett.9b03000

Reference yield: 56.0%

Benzaldehyd-dipentyl-acetal (97565-87-2) + 1-bromo-3-chloro-5-(trifluoromethoxy)benzene (1417567-41-9) → 1-chloro-3-pentyl-5-(trifluoromethoxy)benzene

Guidance literature:

With nickel(II) bromide dimethoxyethane; potassium phosphate; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; tetrabutylammomium bromide; 4,4'-di-tert-butyl-2,2'-bipyridine; In acetonitrile; benzene; for 24h; Glovebox; Sealed tube; Irradiation;

DOI:10.1021/jacs.1c12203

Reference yield:

benzaldehyde dimethyl acetal (1125-88-8) + 1-bromo-3-chloro-5-(trifluoromethoxy)benzene (1417567-41-9) → 1-chloro-3-methyl-5-(trifluoromethoxy)benzene

Guidance literature:

With nickel(II) bromide dimethoxyethane; potassium phosphate; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; tetrabutylammomium bromide; 4,4'-di-tert-butyl-2,2'-bipyridine; In acetonitrile; benzene; for 24h; Glovebox; Sealed tube; Irradiation;

DOI:10.1021/jacs.1c12203

upstream raw materials:

silver(I) trifluoromethoxide

3-bromo-5-chlorophenylamine