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| CAS No.: | 1589-82-8 |
|---|---|
| Name: | BENZYLMAGNESIUM BROMIDE |
| Article Data: | 18 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C7H7BrMg |
| Molecular Weight: | 195.342 |
| Synonyms: | Benzylmagnesiumbromide (6CI);Magnesium, benzylbromo- (7CI,8CI);Benzylbromomagnesium;benzyl-bromo-magnesium;Benzyl(bromo)magnesium;magnesium, bromo(phenylmethyl)-;Benzylmagnesium Bromide; |
| EINECS: | 216-459-7 |
| Boiling Point: | 110.6°C at 760 mmHg |
| Flash Point: | 10°C |
| Appearance: | powder |
| PSA: | 0.00000 |
| LogP: | 2.84790 |
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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