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Name |
Magnesium,bromo(3,7-dimethyloctyl)- |
EINECS | N/A |
CAS No. | 114499-45-5 | Density | 0.856 g/mL at 25 °C |
PSA | 0.00000 | LogP | 4.65210 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H21BrMg | Boiling Point | 159.7 °C at 760 mmHg |
Molecular Weight | 245.48 | Flash Point | 82.4 °C |
Transport Information | UN 1155 | Appearance | N/A |
Safety | 9-16-29-33 | Risk Codes | 12-19-22-66-67 |
Molecular Structure | Hazard Symbols | F+;Xn | |
Synonyms |
3,7-Dimethyloctylmagnesium bromide solution; |
Article Data | 2 |
The Magnesium,bromo(3,7-dimethyloctyl)-, with the CAS registry number of 114499-45-5, is also known as 3,7-Dimethyloctylmagnesium bromide solution. It belongs to the product categories of Alkyl; Grignard Reagents; Organometallic Reagents. Its molecular formula is C10H21BrMg and molecular weight is 245.48. What's more, its systematic name is Magnesium bromide 3,7-dimethyloctan-1-ide. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.
Physical properties about the Magnesium,bromo(3,7-dimethyloctyl)- are: (1)ACD/LogP: 5.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 12671; (6)ACD/BCF (pH 7.4): 12671; (7)ACD/KOC (pH 5.5): 30087; (8)ACD/KOC (pH 7.4): 30087; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å2; (13)Flash Point: 82.4 °C; (14)Enthalpy of Vaporization: 38 kJ/mol; (15)Boiling Point: 159.7 °C at 760 mmHg; (16)Vapour Pressure: 3.21 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful if swallowed. Its vapours may cause drowsiness and dizziness. In addition, keep it away from sources of ignition - No smoking. And you should take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
(1) SMILES: [Mg+2].[Br-].[CH2-]CC(C)CCCC(C)C
(2) InChI: InChI=1/C10H21.BrH.Mg/c1-5-10(4)8-6-7-9(2)3;;/h9-10H,1,5-8H2,2-4H3;1H;/q-1;;+2/p-1
(3) InChIKey: UBZNSHABNFIFHK-REWHXWOFAG