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1-Butyl-3-methylimidazolium tosylate

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Name

1-Butyl-3-methylimidazolium tosylate

EINECS 200-145-6
CAS No. 410522-18-8 Density 1.299 g/cm3(Temp: 25 °C Press: 800 Torr)
PSA 74.39000 LogP 3.09260
Solubility N/A Melting Point 67 °C
Formula C15H22N2O3S Boiling Point N/A
Molecular Weight 310.41 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 410522-18-8 (1-BUTYL-3-METHYL-IMIDAZOLIUM-TOSYLATE) Hazard Symbols IrritantXi
Synonyms

1-BUTYL-3-METHYLIMIDAZOLIUM P-TOLUENESULFONATE;P-TOLUENESULFONIC ACID 1-BUTYL-3-METHYLIMIDAZOLIUM SALT;

 

1-Butyl-3-methylimidazolium tosylate 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

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