Description

Magnesium bromide 4-(trifluoromethoxy)benzen-1-ide (1/1/1) (CAS No. 169222-42-8) is a highly specialized organomagnesium compound with the molecular formula C₇H₄BrF₃MgO. This reagent is meticulously synthesized for advanced synthetic applications, particularly in Grignard reactions and as a precursor in the formation of carbon-carbon bonds. Its unique trifluoromethoxybenzene moiety enhances reactivity and selectivity in cross-coupling reactions, making it invaluable for pharmaceutical and materials science research. Supplied as a high-purity solid with strict quality control, this compound is ideal for researchers requiring precision in organometallic chemistry. Store under inert conditions to maintain stability and reactivity.

Properties

• CAS Number: 169222-42-8
• Complexity: 216
• IUPAC Name: magnesium;trifluoromethoxybenzene;bromide
• InChI: InChI=1S/C7H4F3O.BrH.Mg/c8-7(9,10)11-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1
• InChI Key: TVAJXWCOAYCCNM-UHFFFAOYSA-M
• Exact Mass: 263.92480
• Molecular Formula: C7H4BrF3MgO
• Molecular Weight: 265.31
• SMILES: C1=CC(=CC=[C-]1)OC(F)(F)F.[Mg+2].[Br-]
• Topological: 9.2
• Monoisotopic Mass: 263.92480
• Synonyms: 169222-42-8, DTXSID70542402, Magnesium bromide 4-(trifluoromethoxy)benzen-1-ide (1/1/1), DTXCID30493188, Magnesium, bromo[4-(trifluoromethoxy)phenyl]-, magnesium;trifluoromethoxybenzene;bromide, 4-(Trifluoromethoxy)phenylmagnesium bromide, (4-(trifluoromethoxy)phenyl)magnesium bromide, [4-(trifluoromethoxy)phenyl]magnesium bromide, 4-(Trifluoromethoxy)phenylmagnesium bromide, SCHEMBL513339, UFMHNMPAQCQXMW-UHFFFAOYSA-M, (4-(Trifluoromethoxy)phenyl)magnesium bromide, 0.50 M in THF, (4-(Trifluoromethoxy)phenyl)magnesium bromide, 0.50 M in 2-MeTHF, 4-trifluormethoxyphenylmagnesium bromide, bromo[4-(trifluoromethoxy)phenyl]magnesium, bromo-[4-(trifluoromethoxy)phenyl]magnesium, 4-(trifluoromethoxy) phenylmagnesium bromide, 4-(Trifluoromethoxy)phenylmagnesium bromide, 0.50 M in THF

Application

This compound is primarily used as a Grignard reagent in organic synthesis, enabling the formation of carbon-carbon bonds in complex molecule construction. It is particularly useful in the preparation of trifluoromethoxy-substituted aromatic compounds, which are prevalent in agrochemical and pharmaceutical intermediates. Researchers also employ it in catalytic systems and as a precursor for advanced material development.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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