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21450-64-6

Basic Information
CAS No.: 21450-64-6
Name: 2,6-DIMETHYLPHENYLMAGNESIUM BROMIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 21450-64-6 (2,6-DIMETHYLPHENYLMAGNESIUM BROMIDE)
Formula: C8H9BrMg
Molecular Weight: 209.368
Synonyms: 2,6-Dimethylphenylmagnesium bromide solution;
Density: 0.998 g/mL at 25 °C
Boiling Point: 65-67 °C
Flash Point: −2 °F
Hazard Symbols: FlammableF;CorrosiveC
Risk Codes: 11-14-19-20/21/22-34
Safety: 16-23-26-36/37/39-45
Transport Information: UN 3399
PSA: 0.00000
LogP: 2.94920
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Specification

The Magnesium,bromo(2,6-dimethylphenyl)-, with the CAS registry number of 21450-64-6, is also known as 2,6-Dimethylphenylmagnesium bromide solution. It belongs to the product categories of Aryl; Grignard Reagents; Organometallic Reagents. Its molecular formula is C8H9BrMg and molecular weight is 209.37. What's more, its systematic name is Bromo-(2,6-dimethylphenyl)magnesium. In addition, it must be stored in airtight containers and placed in a dry, cool place. Physical properties about the Magnesium,bromo(2,6-dimethylphenyl)- are: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1.

Uses: it is used to produce other chemicals. For example, it is used to produce Bis(2,6-dimethylphenyl)phenylphosphine. This reaction needs solvent Tetrahydrofuran. The reaction time is 2 h with reaction temperature of 0 °C. The yield is about 60 %.

The Magnesium,bromo(2,6-dimethylphenyl)- can react with Phenylphosphonous acid dichloride to get Bis(2,6-dimethylphenyl)phenylphosphine

When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause burns. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. It reacts violently with water. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cccc(C)c1[Mg]Br
(2) InChI: InChI=1/C8H9.BrH.Mg/c1-7-4-3-5-8(2)6-7;;/h3-5H,1-2H3;1H;/q;;+1/p-1/rC8H9BrMg/c1-6-4-3-5-7(2)8(6)10-9/h3-5H,1-2H3
(3) InChIKey: BIGUVDUZGAJWQK-KDNQNCEZAQ