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410522-18-8

Basic Information
CAS No.: 410522-18-8
Name: 1-BUTYL-3-METHYL-IMIDAZOLIUM-TOSYLATE
Molecular Structure:
Molecular Structure of 410522-18-8 (1-BUTYL-3-METHYL-IMIDAZOLIUM-TOSYLATE)
Formula: C15H22N2O3S
Molecular Weight: 310.41
Synonyms: 1-BUTYL-3-METHYLIMIDAZOLIUM P-TOLUENESULFONATE;P-TOLUENESULFONIC ACID 1-BUTYL-3-METHYLIMIDAZOLIUM SALT;
EINECS: 200-145-6
Density: 1.299 g/cm3(Temp: 25 °C Press: 800 Torr)
Melting Point: 67 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26
PSA: 74.39000
LogP: 3.09260
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  • 1-BUTYL-3-METHYL-IMIDAZOLIUM-TOSYLATE CAS No.410522-18-8

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Specification

The 1-Butyl-3-methylimidazolium tosylate is an organic compound with the formula C15H22N2O3S. The systematic name of this chemical is 1-butyl-3-methyl-1H-imidazol-3-ium 4-methylbenzenesulfonate. With the CAS registry number 410522-18-8, it is also named as p-Toluenesulfonic acid 1-Butyl-3-methylimidazolium salt.

Physical properties about 1-Butyl-3-methylimidazolium tosylate are: (1)ACD/LogP: 0.93; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 74.39 Å2.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. 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: [O-]S(=O)(=O)c1ccc(cc1)C.c1c[n+](cn1CCCC)C
(2)InChI: InChI=1/C8H15N2.C7H8O3S/c1-3-4-5-10-7-6-9(2)8-10;1-6-2-4-7(5-3-6)11(8,9)10/h6-8H,3-5H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
(3)InChIKey: VWFZFKKEKWMXIA-REWHXWOFAW
(4)Std. InChI: InChI=1S/C8H15N2.C7H8O3S/c1-3-4-5-10-7-6-9(2)8-10;1-6-2-4-7(5-3-6)11(8,9)10/h6-8H,3-5H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
(5)Std. InChIKey: VWFZFKKEKWMXIA-UHFFFAOYSA-M