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1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

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1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

EINECS 1308068-626-2
CAS No. 174899-82-2 Density 1,53 g/cm3
PSA 93.85000 LogP 3.55340
Solubility Insoluble in water Melting Point ≥−15 °C(lit.)
Formula C8H11F6N3O4S2 Boiling Point 190.5 °C at 760 mmHg
Molecular Weight 391.315 Flash Point 69 °C
Transport Information UN 2922 Appearance N/A
Safety 26-36/37/39-45-61 Risk Codes 24/25-34-51/53
Molecular Structure Molecular Structure of 174899-82-2 (1-ETHYL-3-METHYLIMIDAZOLIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE, 99% [EMIIM]) Hazard Symbols T,N
Synonyms

1-ETHYL-3-METHYLIMIDAZOLIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE, 99% [EMIIM];1-Ethyl-3-methylimidazolium bis(pentafluoromethanesulfonyl)imide;

Article Data 54

1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide 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

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