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| CAS No.: | 35293-35-7 |
|---|---|
| Name: | 2-Methyl-2-phenylpropylmagnesium chloride |
| Molecular Structure: | |
|
|
|
| Formula: | C10H13ClMg |
| Molecular Weight: | 192.971 |
| Synonyms: | (b,b-Dimethylphenethyl)magnesium chloride (6CI);Benzene,(1,1-dimethylethyl)-, magnesium complex;2,2-Dimethyl-2-phenylethylmagnesiumchloride;Magnesium,chloro(2-methyl-2-phenylpropyl)-;Neophylmagnesium chloride;Chloro(2-methyl-2-phenylpropyl)magnesium; |
| EINECS: | 252-492-3 |
| Density: | 0.766 g/mL at 25 °C |
| Boiling Point: | 167.8 °C at 760 mmHg |
| Flash Point: | 34.4 °C |
| Hazard Symbols: |
 F+, C
|
| Risk Codes: | 12-14-20/21/22-34-40 |
| Safety: | 16-26-33-36/37/39-45 |
| Transport Information: | UN 2924 |
| PSA: | 0.00000 |
| LogP: | 3.62130 |
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Specification
The 2-Methyl-2-phenylpropylmagnesium chloride, with the CAS registry number 35293-35-7, is also known as 2,2-Dimethyl-2-phenylethylmagnesiumchloride. It belongs to the product categories of Alkyl; Grignard Reagents; Organometallic Reagents. Its EINECS number is 252-492-3. This chemical's molecular formula is C10H13ClMg and molecular weight is 192.97. What's more, its systematic name is magnesium 2-methanidylpropan-2-ylbenzene chloride.
Physical properties of 2-Methyl-2-phenylpropylmagnesium chloride are: (1)ACD/LogP: 3.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/BCF (pH 5.5): 548.31; (5)ACD/KOC (pH 5.5): 3178.3; (6)#Freely Rotating Bonds: 1; (7)Flash Point: 34.4 °C; (8)Enthalpy of Vaporization: 38.76 kJ/mol; (9)Boiling Point: 167.8 °C at 760 mmHg; (10)Vapour Pressure: 2.21 mmHg at 25°C.
Uses of 2-Methyl-2-phenylpropylmagnesium chloride: it can be used to produce triethyl-(8-methyl-8-phenyl-1-vinyl-non-4-enyl)-silane at the temperature of -20 °C. It will need solvent tetrahydrofuran with the reaction time of 18 hours. This reaction will also need catalyst [Ni(cod)2]. The yield is about 39%.
When you are using this chemical, please be cautious about it as the following:
It is extremely flammable, so you should keep it away from sources of ignition - No smoking. It will react violently with water. It is harmful by inhalation, in contact with skin and if swallowed. It can cause burns. It has a limited evidence of a carcinogenic effect. You should take precautionary measures against static discharges. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)([CH2-])C1=CC=CC=C1.[Mg+2].[Cl-]
(2)InChI: InChI=1S/C10H13.ClH.Mg/c1-10(2,3)9-7-5-4-6-8-9;;/h4-8H,1H2,2-3H3;1H;/q-1;;+2/p-1
(3)InChIKey: IYOKDPFKCXZKJU-UHFFFAOYSA-M