Magnesium bromide 3,4,5-trifluorobenzen-1-ide (1/1/1)

Base Information

• Chemical Name: Magnesium bromide 3,4,5-trifluorobenzen-1-ide (1/1/1)
• CAS No.: 156006-28-9
• Molecular Formula: F3C6H2MgBr
• Molecular Weight: 235.286
• Hs Code.: 29310099
• DSSTox Substance ID: DTXSID20380836
• Mol file: 156006-28-9.mol

Synonyms:Magnesium bromide 3,4,5-trifluorobenzen-1-ide (1/1/1);magnesium;1,2,3-trifluorobenzene-5-ide;bromide;DTXSID20380836

Chemical Property of Magnesium bromide 3,4,5-trifluorobenzen-1-ide (1/1/1)

Chemical Property:

• Boiling Point: 65 °C
• Flash Point: 1 °F
• PSA: 0.00000
• Density: 0.975 g/mL at 25 °C
• LogP: 2.74970
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 233.91424
• Heavy Atom Count: 11
• Complexity: 189

Purity/Quality:

97% ^*data from raw suppliers

3,4,5-Trifluorophenylmagnesium bromide solution 0.3M in THF ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F;C
• Hazard Codes: F,C,Xn
• Statements: 11-14-19-34-40-36/37/38
• Safety Statements: 16-26-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=[C-]C=C(C(=C1F)F)F.[Mg+2].[Br-]

Technology Process of Magnesium bromide 3,4,5-trifluorobenzen-1-ide (1/1/1)

There total 2 articles about Magnesium bromide 3,4,5-trifluorobenzen-1-ide (1/1/1) 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:

3,4,5-trifluoro-1-bromobenzene (138526-69-9) → 3,4,5-trifluorophenylmagnesium bromide (156006-28-9)

Guidance literature:

With magnesium; In tetrahydrofuran; for 0.5h; Heating / reflux;

Reference yield:

magnesium (7439-95-4) + 3,4,5-trifluoro-1-bromobenzene (138526-69-9) → 3,4,5-trifluorophenylmagnesium bromide (156006-28-9)

Guidance literature:

With iodine; In diethyl ether; at 20 ℃; Heating / reflux;

Reference yield: 94.0%

4-(2-(4-n-pentyl-4-phenyl-4-silacyclohexyl)ethyl)cyclohexanone + 3,4,5-trifluorophenylmagnesium bromide (156006-28-9) → trans-4-(2-(4-(3,4,5-trifluorophenyl)cyclohexyl)ethyl)-1-n-pentyl-1-silacyclohexane

Guidance literature:

With p-toluenesulfonic acid monohydrate; hydrogen; Iodine monochloride; In tetrahydrofuran; tetrachloromethane; palladium-carbon catalyst; dichloromethane; ethyl acetate; benzene;

upstream raw materials:

3,4,5-trifluoro-1-bromobenzene

magnesium

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