2-Bromo-4-chlorobenzotrifluoride

Base Information

• Chemical Name: 2-Bromo-4-chlorobenzotrifluoride
• CAS No.: 1099597-32-6
• Molecular Formula: C7H3BrClF3
• Molecular Weight: 259.453
• Hs Code.: 2903999090
• European Community (EC) Number: 806-642-5
• DSSTox Substance ID: DTXSID40604400
• Nikkaji Number: J1.182.155C
• Wikidata: Q82502312
• Mol file: 1099597-32-6.mol

Synonyms:2-Bromo-4-chlorobenzotrifluoride;1099597-32-6;2-bromo-4-chloro-1-(trifluoromethyl)benzene;MFCD09839109;SCHEMBL3324051;DTXSID40604400;BBL103652;CL8615;STL557462;AKOS005255748;AC-29793;AS-46060;SY035390;DB-111942;DB-217058;CS-0046299;EN300-203381;A894959

Chemical Property of 2-Bromo-4-chlorobenzotrifluoride

Chemical Property:

• PSA: 0.00000
• LogP: 4.12130
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 257.90587
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-4-chlorobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-4-chlorobenzotrifluoride

There total 1 articles about 2-Bromo-4-chlorobenzotrifluoride 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: 100.0%

5-chloro-2-(trifluoromethyl)aniline (445-14-7) → 2-bromo-4-chloro-1-(trifluoromethyl)benzene (1099597-32-6)

Guidance literature:

5-chloro-2-(trifluoromethyl)aniline; With hydrogen bromide; sodium nitrite; In water; at 0 ℃; for 0.5h;

With hydrogen bromide; copper(I) bromide; In water; at 0 - 75 ℃; for 3h;

Reference yield:

2-bromo-4-chloro-1-(trifluoromethyl)benzene (1099597-32-6) + (5-chloro-2-methoxypyridin-4-yl)boronic acid (475275-69-5) → 5-chloro-4-[5-chloro-2-(trifluoromethyl)phenyl]-2-methoxypyridine

Guidance literature:

With potassium dihydrogenphosphate; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II); In tetrahydrofuran; water; at 60 ℃; Inert atmosphere; Sonication;

Reference yield:

2-bromo-4-chloro-1-(trifluoromethyl)benzene (1099597-32-6) + (2,5-dimethoxypyridin-4-yl)boric acid → 4-[5-chloro-2-(trifluoromethyl)phenyl]-2,5-dimethoxypyridine

Guidance literature:

With [1,1'-bis(diphenylphosphino)-ferrocene]palladium(II) chloride-dichlormethane complex; potassium carbonate; In 1,4-dioxane; at 110 ℃; Inert atmosphere;

upstream raw materials:

5-chloro-2-(trifluoromethyl)aniline

Refernces

• 1、 -. "ALKYNYL COMPOUNDS AND METHODS OF USE". Page/Page column 57. . Retrieved 2014/06/24.