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Magnesium,bromo(phenylmethyl)- (1589-82-8)

Identification
Name:Magnesium,bromo(phenylmethyl)-
Synonyms:Benzylmagnesiumbromide (6CI);Magnesium, benzylbromo- (7CI,8CI);Benzylbromomagnesium;benzyl-bromo-magnesium;Benzyl(bromo)magnesium;magnesium, bromo(phenylmethyl)-;Benzylmagnesium Bromide;
CAS:1589-82-8
EINECS: 216-459-7
Molecular Formula: C7H7BrMg
Molecular Weight: 195.3395
InChI: InChI=1/C7H7.BrH.Mg/c1-7-5-3-2-4-6-7;;/h2-6H,1H2;1H;/q-1;;+2/p-1
Molecular Structure: (C7H7BrMg) Benzylmagnesiumbromide (6CI);Magnesium, benzylbromo- (7CI,8CI);Benzylbromomagnesium;benzyl-bromo-mag...
Properties
Density:g/cm3
Appearance:powder
Specification:

The Benzylmagnesium bromide, with the cas registry number 1589-82-8 and EINECS registry number 216-459-7, has the systematic name of benzyl-bromo-magnesium. It belongs to the following product categories: Classes of Metal Compounds; Grignard Reagents; Grignard Reagents & Alkyl Metals; Mg (Magnesium) Compounds; Synthetic Organic Chemistry; Typical Metal Compounds. And the molecular formula of the chemical is C7H7BrMg.

The characteristics of this chemical are as followings: (1)H-Bond Donor 0; (2)H-Bond Acceptor 2; (3)Rotatable Bond Count 0; (4)Exact Mass 193.958155; (5)MonoIsotopic Mass 193.958155; (6)Topological Polar Surface Area 0; (7)Heavy Atom Count 9; (8)Formal Charge 0; (9)Complexity 50.9; (10)Isotope Atom Count 0; (11)Defined Atom StereoCenter Count 0; (12)Undefined Atom StereoCenter Count 0; (13)Defined Bond StereoCenter Count 0; (14)Undefined Bond StereoCenter Count 0; (15)Covalently-Bonded Unit Count 3.

Uses of Benzylmagnesium bromide: It can react with 3-bromo-propene to produce but-3-enyl-benzene. This reaction will need reagent Pd(PPh3)4, and the menstruum tetrahydrofuran and diethyl ether. The reaction time is 15minutes with temperature of 20°C , and the yield is about 100%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Br[Mg]Cc1ccccc1
(2)InChI: InChI=1/C7H7.BrH.Mg/c1-7-5-3-2-4-6-7;;/h2-6H,1H2;1H;/q;;+1/p-1/rC7H7BrMg/c8-9-6-7-4-2-1-3-5-7/h1-5H,6H2
(3)InChIKey: UHPSYHZSDNXIHK-YNNLBPBGAR

Safety Data