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CAS No.: | 133095-91-7 |
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Name: | 3,4,5-TRIMETHOXYPHENYLMAGNESIUM BROMIDE SOLUTION 0.5M IN TETRAHYDROFURAN |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C9H11BrMgO3 |
Molecular Weight: | 271.394 |
Synonyms: | (3,4,5-Trimethoxyphenyl)magnesium bromide;Benzene,1,2,3-trimethoxy-, magnesium complex; |
Density: | 0.979 g/mL at 25 °C |
Flash Point: | <-20℃ |
Hazard Symbols: | F+; C |
Risk Codes: | 12-14-19-34-37 |
Safety: | 16-26-29-33-36/37/39-45 |
Transport Information: | UN 2924 |
PSA: | 27.69000 |
LogP: | 2.35820 |
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The Magnesium,bromo(3,4,5-trimethoxyphenyl)- (9CI), with CAS registry number 133095-91-7, belongs to the following product categories: (1)Aryl; (2)Grignard Reagents; (3)Organometallic Reagents. It has the systematic name of bromo-(3,4,5-trimethoxyphenyl)magnesium. And the chemical formula of this chemical is C9H11BrMgO3.
Physical properties of Magnesium,bromo(3,4,5-trimethoxyphenyl)- (9CI): (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 27.69 Å2.
When you are using this chemical, please be cautious about it as the following:
The Magnesium,bromo(3,4,5-trimethoxyphenyl)- (9CI) is extremely flammable and it may cause burns, so keep it away from sources of ignition. It may react violently with water. And it may form explosive peroxides. Secondly, it irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. You should not empty it into drains. You should take precautionary measures against static discharges. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: COc1c(cc(cc1OC)[Mg]Br)OC
(2)InChI: InChI=1/C9H11O3.BrH.Mg/c1-10-7-5-4-6-8(11-2)9(7)12-3;;/h5-6H,1-3H3;1H;/q;;+1/p-1/rC9H11BrMgO3/c1-12-7-4-6(11-10)5-8(13-2)9(7)14-3/h4-5H,1-3H3
(3)InChIKey: YWBLTWDGWZPYLJ-MJDSSZCQAG
(4)Std. InChI: InChI=1S/C9H11O3.BrH.Mg/c1-10-7-5-4-6-8(11-2)9(7)12-3;;/h5-6H,1-3H3;1H;/q;;+1/p-1
(5)Std. InChIKey: YWBLTWDGWZPYLJ-UHFFFAOYSA-M