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| CAS No.: | 64697-40-1 |
|---|---|
| Name: | 3-METHYL-1-OCTYLIMIDAZOLIUM CHLORIDE |
| Article Data: | 51 |
| Molecular Structure: | |
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| Formula: | C12H23ClN2 |
| Molecular Weight: | 230.781 |
| Synonyms: | 1H-Imidazolium,1-methyl-3-octyl-, chloride (9CI);1-Methyl-3-octyl-1H-imidazolium chloride;1-Methyl-3-octylimidazolium chloride;1-Octyl-3-methylimidazolium chloride; |
| Density: | 1.01 g/cm3 |
| Melting Point: | 12°C(lit.) |
| Solubility: | Slightly soluble in water. |
| Appearance: | clear pale yellow to yellow viscous liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 8.81000 |
| LogP: | -0.32290 |
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Specification
The 1H-Imidazolium,1-methyl-3-octyl-, chloride (1:1), with the CAS registry number 64697-40-1, is also known as 1-Methyl-3-octyl-1H-imidazolium chloride. This chemical's molecular formula is C12H23ClN2 and molecular weight is 230.78. What's more, its systematic name is 3-Methyl-1-octyl-1H-imidazol-3-ium chloride. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, physical properties about 1H-Imidazolium,1-methyl-3-octyl-, chloride (1:1) are: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 8.81 Å2.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].c1c[n+](cn1CCCCCCCC)C
(2) InChI: InChI=1/C12H23N2.ClH/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;/h10-12H,3-9H2,1-2H3;1H/q+1;/p-1
(3) InChIKey: OXFBEEDAZHXDHB-REWHXWOFAD