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| CAS No.: | 174899-82-2 |
|---|---|
| Name: | 1-ETHYL-3-METHYLIMIDAZOLIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE, 99% [EMIIM] |
| Article Data: | 54 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C8H11F6N3O4S2 |
| Molecular Weight: | 391.315 |
| Synonyms: | 1-ETHYL-3-METHYLIMIDAZOLIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE, 99% [EMIIM];1-Ethyl-3-methylimidazolium bis(pentafluoromethanesulfonyl)imide; |
| EINECS: | 1308068-626-2 |
| Density: | 1,53 g/cm3 |
| Melting Point: | ≥−15 °C(lit.) |
| Boiling Point: | 190.5 °C at 760 mmHg |
| Flash Point: | 69 °C |
| Solubility: | Insoluble in water |
| Hazard Symbols: | T,N |
| Risk Codes: | 24/25-34-51/53 |
| Safety: | 26-36/37/39-45-61 |
| Transport Information: | UN 2922 |
| PSA: | 93.85000 |
| LogP: | 3.55340 |
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Specification
The 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide with cas number 174899-82-2, is also called EMIM BTI, EMIM TFSI, EMIMIm. The systematic name is 1-ethyl-3-methyl-1H-imidazol-3-ium bis[(trifluoromethyl)sulfonyl]azanide. Its molecular formula is C8H11F6N3O4S2.
The properties of the chemical are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 97.07 ?2; (7)Flash Point: 69 °C; (8)Enthalpy of Vaporization: 42.67 kJ/mol; (9)Boiling Point: 190.5 °C at 760 mmHg; (10)Vapour Pressure: 0.54 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.c1c[n+](cn1CC)C
(2)InChI: InChI=1/C6H11N2.C2F6NO4S2/c1-3-8-5-4-7(2)6-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-6H,3H2,1-2H3;/q+1;-1
(3)InChIKey: LRESCJAINPKJTO-UHFFFAOYAU