1,2-Dibromo-4-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1,2-Dibromo-4-(trifluoromethyl)benzene
• CAS No.: 7657-08-1
• Molecular Formula: C7H3Br2F3
• Molecular Weight: 303.904
• DSSTox Substance ID: DTXSID00470305
• Nikkaji Number: J2.299.943E
• Mol file: 7657-08-1.mol

Synonyms:1,2-dibromo-4-(trifluoromethyl)benzene;7657-08-1;3,4-Dibromobenzotrifluoride;1,2-DIBROMO-4-TRIFLUOROMETHYL-BENZENE;1,2-Dibromo-4-trifluoromethylbenzene;Benzene, 1,2-dibromo-4-(trifluoromethyl)-;SCHEMBL7863398;DTXSID00470305;CFWJTWLWDMJECT-UHFFFAOYSA-N;MFCD08752372;AKOS015964449;DS-5224;AC-21001;CS-0098716;C76451;1 pound not2-Dibromo-4-(trifluoromethyl)benzene

Chemical Property of 1,2-Dibromo-4-(trifluoromethyl)benzene

Chemical Property:

• Vapor Pressure: 0.107mmHg at 25°C
• Boiling Point: 229.168oC at 760 mmHg
• Flash Point: 92.398oC
• PSA: 0.00000
• Density: 1.957g/cm3
• LogP: 4.23040
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 303.85331
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

1,2-Dibromo-4-(trifluoromethyl)benzene 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)Br

Technology Process of 1,2-Dibromo-4-(trifluoromethyl)benzene

There total 10 articles about 1,2-Dibromo-4-(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: 77.0%

3-bromo-1-trifluoromethylbenzene (401-78-5) → 1,2-dibromo-4-(trifluoromethyl)benzene (7657-08-1)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; bromine; zinc(II) chloride; In tetrahydrofuran; hexane; at -100 - 25 ℃;

DOI:10.1021/jo052515k

Reference yield:

α,α,α-trifluorotoluene (98-08-8) + bromine (7726-95-6) → 3-bromo-1-trifluoromethylbenzene (401-78-5) + 1,2-dibromo-4-(trifluoromethyl)benzene (7657-08-1) + m-bromobenzoic acid (585-76-2) + 3,4-dibromobenzoic acid (619-03-4)

Guidance literature:

at 80 - 85 ℃;

DOI:10.1021/ja01243a024

Reference yield:

α,α,α-trifluorotoluene (98-08-8) → 1,2-dibromo-4-(trifluoromethyl)benzene (7657-08-1) + 1,4-dibromo-2-(trifluoromethyl)benzene (7657-09-2)

Guidance literature:

With antimonypentachloride; bromine; Einleiten von Chlor;

DOI:10.1021/ja01200a060

upstream raw materials:

α,α,α-trifluorotoluene

2-Bromo-5-trifluoromethylaniline

4-trifluoromethylphenylamine

bromine

Downstream raw materials:

1-(2-bromo-4-trifluoromethyl-phenyl)-ethanol

3,4-dibromobenzoic acid