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| CAS No.: | 174899-66-2 |
|---|---|
| Name: | 1-Butyl-3-methylimidazolium trifluoromethansulfonate |
| Article Data: | 44 |
| Molecular Structure: | |
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| Formula: | C8H15N2.CF3O3S |
| Molecular Weight: | 288.291 |
| Synonyms: | 1-N-BUTYL-3-METHYLIMIDAZOLIUM TRIFLUOROMETHANESULFONATE;1-BUTYL-3-METHYLIMIDAZOLIUM TRIFLUOROMETHANESULFONATE;1-BUTYL-3-METHYL-IMIDAZOLIUM TRIFLUOROMETHANSULFONATE;1-BUTYL-3-METHYLIMIDAZOLIUM TRIFLUOROMETHYLSULFONATE;1-BUTYL-3-METHYL-IMIDAZOLIUM TRIFLUORMETHANSULFONATE;1-BUTYL-3-ETHYLIMIDAZOLIUM TRIFLUOROMETHANESULFONATE;1-n-Butyl-3-methylimidazoliumtriflate;1-BUTYL-3-METHYLIMIDAZOLIUM TRIFLUOROMETHANE SULFONATE 98+% |
| Density: | 1.292 |
| Melting Point: | 16°C |
| Flash Point: | >100°C |
| Appearance: | Clear pale yellow to yellow liquid |
| Hazard Symbols: |
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| Risk Codes: | R21/22;R36/37/38 |
| PSA: | 74.39000 |
| LogP: | 2.24490 |
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Chemistry
Molecule structure of 1-Butyl-3-methylimidazolium trifluoromethansulfonate (CAS NO.174899-66-2):
IUPAC Name: 1-Butyl-3-methylimidazol-3-ium; trifluoromethanesulfonate
Molecular Weight: 288.28721 [g/mol]
Molecular Formula: C9H15F3N2O3S
Index of Refraction: 1.434
Density: 1.292g/cm3
Melting Point: 16 °C
H-Bond Acceptor: 6
Rotatable Bond Count: 3
Exact Mass: 288.075548
MonoIsotopic Mass: 288.075548
Topological Polar Surface Area: 66
Heavy Atom Count: 18
Canonical SMILES: CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
InChI: InChI=1S/C8H15N2.CHF3O3S/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)8(5,6)7/h6-8H,3-5H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey: FRZPYEHDSAQGAS-UHFFFAOYSA-M
Product Categories: Imidazolium Compounds; Imidazolium Salts (Ionic Liquids) Ionic Liquids; Synthetic Organic Chemistry
Safety Profile
Hazard Codes: 
Xn, 
Xi
Risk Statements: 36/37/38-21/22
R36/37/38:Irritating to eyes, respiratory system and skin
R21/22:Harmful in contact with skin and if swallowed.
Safety Statements: 36/37/39-26
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 3265
Specification
1-Butyl-3-methylimidazolium trifluoromethansulfonate (CAS NO.174899-66-2) is also named as 1-butyl-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonate ; 1-Butyl-3-methylimidazolium Trifluoromethanesulfonate ; 1-n-Butyl-3-methylimidazolium triflate . 1-Butyl-3-methylimidazolium trifluoromethansulfonate (CAS NO.174899-66-2) is clear pale yellow to yellow liquid.