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CAS No.: | 328090-25-1 |
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Name: | 1-ETHYL-3-METHYLIMIDAZOLIUM P-TOLUENESULFONATE |
Molecular Structure: | |
Formula: | C13H18N2O3S |
Molecular Weight: | 282.36 |
Synonyms: | 1-Ethyl-3-methyl-1H-imidazol-3-ium 4-methylbenzenesulfonate;1-Ethyl-3-methylimidazolium tosylate;1-Ethyl-3-methylimidazolium p-toluenesulfonate; |
EINECS: | 200-145-6 |
Density: | 1.231 g/mL at 20 °C |
Melting Point: | 25-35 °C |
Solubility: | Soluble in water |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 74.39000 |
LogP: | 2.31240 |
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The 1H-Imidazolium, 3-ethyl-1-methyl-, 4-methylbenzenesulfonate (1:1), with the CAS registry number 328090-25-1, is also known as 1-Ethyl-3-methylimidazolium p-toluenesulfonate. It belongs to the product categories of Chemical Synthesis; Imidazolium; Ionic Liquids. This chemical's molecular formula is C13H18N2O3S and molecular weight is 282.36. What's more, its systematic name is 1-ethyl-3-methyl-1H-imidazol-3-ium 4-methylbenzenesulfonate.
Physical properties of 1H-Imidazolium, 3-ethyl-1-methyl-, 4-methylbenzenesulfonate (1:1) are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 74.39 Å2.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. 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)SMILES: [O-]S(=O)(=O)c1ccc(cc1)C.c1c[n+](cn1CC)C
(2)InChI: InChI=1S/C7H8O3S.C6H11N2/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-8-5-4-7(2)6-8/h2-5H,1H3,(H,8,9,10);4-6H,3H2,1-2H3/q;+1/p-1
(3)InChIKey: HXMUPILCYSJMLQ-UHFFFAOYSA-M