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| CAS No.: | 17049-49-9 |
|---|---|
| Name: | N-OCTYLMAGNESIUM BROMIDE |
| Article Data: | 14 |
| Molecular Structure: | |
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|
|
| Formula: | C8H17BrMg |
| Molecular Weight: | 217.432 |
| Synonyms: | 1-Octylmagnesiumbromide;Bromooctylmagnesium;Octylmagnesium bromide;n-Octylmagnesium bromide; |
| Density: | 0.961 g/mL at 25 °C |
| Boiling Point: | 34.6 °C |
| Flash Point: | -31 °F |
| Hazard Symbols: |
 F+;  C
|
| Risk Codes: | 12-14/15-19-22-34-66-67 |
| Safety: | 26-36/37/39-43-45 |
| Transport Information: | UN 3399 |
| PSA: | 0.00000 |
| LogP: | 4.16010 |
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Specification
The Magnesium, bromooctyl-, with CAS registry number 17049-49-9, belongs to the following product categories: (1)Classes of Metal Compounds; (2)Grignard Reagents; (3)Grignard Reagents & Alkyl Metals; (4)Mg (Magnesium) Compounds; (5)Synthetic Organic Chemistry; (6)Typical Metal Compounds; (7)Alkyl; (8)Organometallic Reagents. It has the systematic name of bromo-octyl-magnesium. And the chemical formula of this chemical is C8H17BrMg.
Physical properties of Magnesium, bromooctyl-: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 7.
Uses of Magnesium, bromooctyl-: it can be used to produce octan-1-ol. This reaction will need reagents diethyl ether, oxygen. The reaction temperature is 0 ℃.
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When you are using this chemical, please be cautious about it as the following:
The Magnesium, bromooctyl- is extremely flammable and it may cause burn. It reacts violently with water. Whne contact with water, it liberates extremely flammable gases. This chemical may form explosive peroxides. It is harmful if swallowed. Repeated exposure may cause skin dryness or cracking. And its vapours may cause drowsiness and dizziness. 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. In case of fire use ... (there follows the type of fire-fighting equipment to be used.) 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: CCCCCCCC[Mg]Br
(2)InChI: InChI=1/C8H17.BrH.Mg/c1-3-5-7-8-6-4-2;;/h1,3-8H2,2H3;1H;/q;;+1/p-1/rC8H17BrMg/c1-2-3-4-5-6-7-8-10-9/h2-8H2,1H3
(3)InChIKey: ZDUZWGUHIRQPGP-HBVNWBAMAF
(4)Std. InChI: InChI=1S/C8H17.BrH.Mg/c1-3-5-7-8-6-4-2;;/h1,3-8H2,2H3;1H;/q;;+1/p-1
(5)Std. InChIKey: ZDUZWGUHIRQPGP-UHFFFAOYSA-M