1-Bromo-2,4,5-trifluoro-3-(trifluoromethyl)benzene

Base Information

Chemical Name:1-Bromo-2,4,5-trifluoro-3-(trifluoromethyl)benzene
CAS No.:118829-13-3
Molecular Formula:C7HBrF6
Molecular Weight:278.979
Hs Code.:
DSSTox Substance ID:DTXSID101230625
Mol file:118829-13-3.mol

Synonyms:1-bromo-2,4,5-trifluoro-3-(trifluoromethyl)benzene;118829-13-3;SCHEMBL7592418;DTXSID101230625

Suppliers and Price of 1-Bromo-2,4,5-trifluoro-3-(trifluoromethyl)benzene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 1-Bromo-2,4,5-trifluoro-3-(trifluoromethyl)benzene

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:0
Exact Mass:277.91658
Heavy Atom Count:14
Complexity:205

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C(=C(C(=C1Br)F)C(F)(F)F)F)F

Technology Process of 1-Bromo-2,4,5-trifluoro-3-(trifluoromethyl)benzene

There total 1 articles about 1-Bromo-2,4,5-trifluoro-3-(trifluoromethyl)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: 88.0%

: 118829-12-2
3-bromo-2,5,6-trifluorobenzoic acid

: 118829-13-3
1-bromo-2,4,5-trifluoro-3-(trifluoromethyl)-benzene

Guidance literature:: With hydrogen fluoride; sulfur(VI) hexafluoride; at 120 ℃; for 8h;
DOI:10.1021/jm00080a023

Reference yield: 69.0%

: 124-38-9,18923-20-1
carbon dioxide

: 118829-13-3
1-bromo-2,4,5-trifluoro-3-(trifluoromethyl)-benzene

: 118829-14-4
2,4,5-trifluoro-3-(trifluoromethyl)benzoic acid

Guidance literature:: With n-butyllithium; trifluoroacetic acid;

Reference yield:

: 118829-13-3
1-bromo-2,4,5-trifluoro-3-(trifluoromethyl)-benzene

: 118829-18-8
2,4,5-trifluoro-3-trifluoromethylbenzoic acid chloride

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) n-BuLi / 1.) Et₂O, hexane, -78 deg C, 5 min, 2.) Et₂O, hexane, -78 deg C

2: oxalyl chloride, DMF / CH₂Cl₂ / 18 h / Ambient temperature

With n-butyllithium; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;
DOI:10.1021/jm00080a023