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1-Butyl-3-methylimidazolium methylsulfate

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Name

1-Butyl-3-methylimidazolium methylsulfate

EINECS N/A
CAS No. 401788-98-5 Density 1.21 g/mL at 20 °C
PSA 83.62000 LogP 1.28650
Solubility N/A Melting Point -4°C(lit.)
Formula C9H18N2O4S Boiling Point N/A
Molecular Weight 250.319 Flash Point N/A
Transport Information UN 3265 8/PG 2 Appearance N/A
Safety 26-36-45 Risk Codes 34
Molecular Structure Molecular Structure of 401788-98-5 (1-Butyl-3-methylimidazolium methylsulfate) Hazard Symbols CorrosiveC
Synonyms

1-Butyl-3-methyl-1H-imidazol-3-ium methyl sulfate;

Article Data 11

1-Butyl-3-methylimidazolium methylsulfate Specification

The CAS registry number of 1-n-Butyl-3-methylimidazolium methylsulfate is 401788-98-5. In addition, the molecular formula is C9H18N2O4S and the molecular weight is 250.32. The IUPAC name is 1-butyl-3-methylimidazol-3-ium; methyl sulfate. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 1-n-Butyl-3-methylimidazolium methylsulfate are: (1)#H bond acceptors: 6; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 83.62 Å2; (5)Rotatable Bond Count: 3; (6)Exact Mass: 250.098728; (7)MonoIsotopic Mass: 250.098728; (8)Topological Polar Surface Area: 83.6; (9)Heavy Atom Count: 16; (10)Complexity: 184; (11)Covalently-Bonded Unit Count: 2.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCn1cc[n+](C)c1.[O-]S(=O)(=O)OC
(2)InChI: InChI=1/C8H15N2.CH4O4S/c1-3-4-5-10-7-6-9(2)8-10;1-5-6(2,3)4/h6-8H,3-5H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
(3)InChIKey: MEMNKNZDROKJHP-REWHXWOFAR

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