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| CAS No.: | 401788-98-5 |
|---|---|
| Name: | 1-Butyl-3-methylimidazolium methylsulfate |
| Article Data: | 11 |
| Molecular Structure: | |
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|
|
| Formula: | C9H18N2O4S |
| Molecular Weight: | 250.319 |
| Synonyms: | 1-Butyl-3-methyl-1H-imidazol-3-ium methyl sulfate; |
| Density: | 1.21 g/mL at 20 °C |
| Melting Point: | -4°C(lit.) |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36-45 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 83.62000 |
| LogP: | 1.28650 |
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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