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| CAS No.: | 18620-04-7 |
|---|---|
| Name: | 4-THIOANISOLEMAGNESIUM BROMIDE |
| Article Data: | 3 |
| Molecular Structure: | |
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|
|
| Formula: | C7H7BrMgS |
| Molecular Weight: | 227.408 |
| Synonyms: | 4-Thioanisolemagnesium bromide solution; |
| Density: | 0.965 g/mL at 25 °C |
| Boiling Point: | 65 °C |
| Flash Point: | <1 °F |
| Hazard Symbols: |
 F; C; F+
|
| Risk Codes: | 11-14-19-34-12 |
| Safety: | 16-26-36/37/39-45 |
| Transport Information: | UN 2924 |
| PSA: | 25.30000 |
| LogP: | 3.05430 |
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Specification
The Magnesium,bromo[4-(methylthio)phenyl]-, with the CAS registry number of 18620-04-7, is also known as 4-Thioanisolemagnesium bromide solution. It belongs to the product categories of Aryl; Grignard Reagents; Organometallic Reagents. Its molecular formula is C7H7BrMgS and molecular weight is 227.4. What's more, its systematic name is Bromo-(4-methylsulfanylphenyl)magnesium. In addition, it must be stored in airtight containers and placed in a dry, cool place. Physical properties about the Magnesium,bromo[4-(methylthio)phenyl]- are: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 25.3 Å2.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause burns. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. It reacts violently with water. In addition, during using it, 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) SMILES: CSc1ccc([Mg]Br)cc1
(2) InChI: InChI=1/C7H7S.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q;;+1/p-1/rC7H7BrMgS/c1-10-7-4-2-6(9-8)3-5-7/h2-5H,1H3
(3) InChIKey: SSVQCUSLJVVRCA-DDMUDUIFAP