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| CAS No.: | 171058-17-6 |
|---|---|
| Name: | 1-Hexyl-3-methylimidazolium chloride |
| Article Data: | 43 |
| Molecular Structure: | |
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|
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| Formula: | C10H19ClN2 |
| Molecular Weight: | 202.727 |
| Synonyms: | 1H-Imidazolium,1-hexyl-3-methyl-, chloride (9CI);1-Hexyl-3-methyl-1H-imidazolium chloride;1-n-Hexyl-3-methylimidazolium chloride; |
| Density: | 1.0337 g/cm3 |
| Melting Point: | -85 °C |
| Solubility: | Insoluble in water. |
| Appearance: | Clear yellow-orange liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 8.81000 |
| LogP: | -1.10310 |
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Specification
The 1-Hexyl-3-methylimidazolium chloride, with the cas registry number of 171058-17-6, is also known as 1H-Imidazolium, 1-hexyl-3-methyl-, chloride (1:1) and 3-Hexyl-1-methyl-1H-imidazol-3-ium chloride. It belongs to the product categories of Imidazolium Compounds; Imidazolium Salts (Ionic Liquids); Ionic Liquids; Synthetic Organic Chemistry. This chemical's molecular formula is C10H19ClN2 and formula weight is 202.72. What's more, both its IUPAC name and systematic name are the same which is called 1-Hexyl-3-methylimidazol-3-ium. This chemical is clear yellow-orange liquid.
Physical properties about this chemical are: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 8.81 Å2; (5)Density: 1.0337 g/cm3; (6)Melting Point: -85 °C; (7)Refractive Index: 1.514-1.518.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and irritates to eyes, respiratory system and skin. Secondly, it is harmful if swallowed. Whenever you will contact it, please wear suitable gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCN1C=C[N+](=C1)C;
(2)InChI: InChI=1S/C10H19N2/c1-3-4-5-6-7-12-9-8-11(2)10-12/h8-10H,3-7H2,1-2H3/q+1;
(3)InChIKey: RVEJOWGVUQQIIZ-UHFFFAOYSA-N.