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| CAS No.: | 352-13-6 |
|---|---|
| Name: | 4-FLUOROPHENYLMAGNESIUM BROMIDE |
| Article Data: | 37 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H4BrFMg |
| Molecular Weight: | 199.305 |
| Synonyms: | Magnesium,bromo(p-fluorophenyl)- (7CI,8CI);p-Fluorophenylmagnesium bromide (6CI);Benzene, fluoro-, magnesium complex;Bromo(4-fluorophenyl)magnesium; |
| EINECS: | 627-087-3 |
| Density: | 1.043 g/mL at 25oC |
| Melting Point: | 5 °C |
| Boiling Point: | 66oC |
| Flash Point: | -40 °F |
| Solubility: | It reacts violently with water. |
| Appearance: | clear yellow to brown solution |
| Hazard Symbols: |
 F+, C, F
|
| Risk Codes: | 12-14-22-34-66-67-11 |
| Safety: | 16-26-36/37/39-43-45-7/8-33 |
| Transport Information: | UN 2924 3/PG 2 |
| PSA: | 0.00000 |
| LogP: | 2.47150 |
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Specification
The Magnesium,bromo(4-fluorophenyl)-, with the CAS registry number 352-13-6, has the systematic name of bromo(4-fluorophenyl)magnesium. It is a kind of clear yellow to red-brown solution, and belongs to the following product categories: Grignard Reagents; Aryl; Organometallic Reagents. And the molecular formula of the chemical is C6H4BrFMg.
The characteristics of Magnesium,bromo(4-fluorophenyl)- are as followings: (1)H-Bond Donor 0; (2)H-Bond Acceptor 3; (3)Rotatable Bond Count 0; (4)Exact Mass 197.933083; (5)MonoIsotopic Mass 197.933083; (6)Topological Polar Surface Area 0; (7)Heavy Atom Count 9; (8)Formal Charge 0; (9)Complexity 133; (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 Magnesium,bromo(4-fluorophenyl)-: It can react with isonicotinonitrile to produce (4-fluoro-phenyl)-pyridin-4-yl-methanone. This reaction will need the menstruum tetrahydrofuran and diethyl ether. The reaction time is 6 hours with heating, and the yield is about 64%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Br[Mg]c1ccc(F)cc1
(2)InChI: InChI=1/C6H4F.BrH.Mg/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q;;+1/p-1/rC6H4BrFMg/c7-9-6-3-1-5(8)2-4-6/h1-4H
(3)InChIKey: QYBFFRXNNFXREA-LJZPANJNAQ