Tributylmethylammonium bis(trifluoromethanesulfonyl)imide CAS 405514-94-5

Description

Tributylmethylammonium bis(trifluoromethanesulfonyl)imide, CAS 405514-94-5, is a quaternary ammonium-based ionic liquid. It consists of a tributylmethylammonium cation ([N(C4​H9​)3​CH3​]+) and a bis(trifluoromethanesulfonyl)imide anion ([N(SO2​CF3​)2​]−, often abbreviated as TFSI⁻ or NTf₂⁻). This compound is characterized by its low melting point (often liquid at or near room temperature), high thermal stability, wide electrochemical window, good ionic conductivity, and general non-flammability. The bulky and asymmetric cation combined with the delocalized charge of the TFSI⁻ anion contributes to these desirable ionic liquid properties. It is primarily utilized in electrochemical applications, such as electrolytes in batteries and supercapacitors, as a specialty solvent for chemical reactions and separations, and in various advanced material science research areas. While the request mentions “pharmaceutical product,” this compound is a specialty chemical for industrial and research applications rather than a direct therapeutic agent.

Properties

Property	Value
CAS Number	405514-94-5
Chemical Name	Methyltributylammonium bis[(trifluoromethyl)sulfonyl]azanide; Tributylmethylammonium bis(trifluoromethanesulfonyl)imide
Common Acronyms	[N1444​][TFSI]; [N1444​][NTf2​]; [MeBu3​N][TFSI]
Molecular Formula	C15​H30​F6​N2​O4​S2​
Molecular Weight	492.53 g/mol
Appearance	Typically a colorless to pale yellow, viscous liquid at room temperature, or a low-melting solid.
Melting Point	Low, often below room temperature (can vary, e.g., around −8∘C to 5∘C; some sources may report glass transition temperature)
Density	Approximately 1.25 – 1.35 g/cm³ at 20−25∘C (varies with temperature and purity)
Viscosity	Moderately viscous liquid (e.g., in the range of 50-150 mPa·s at 25∘C, can vary)
Ionic Conductivity	Good (e.g., in the range of 1-10 mS/cm at room temperature)
Electrochemical Window	Wide (typically > 4 V, can be up to 5-6 V)
Thermal Stability	High (decomposition temperature often >300∘C, some sources >350∘C or >400∘C)
Solubility	Soluble in many organic solvents; typically immiscible or poorly soluble in water; good solvent for various organic and inorganic compounds.
Purity/Grades	Available in various purity grades, including high purity for electrochemical applications (e.g., >98%, >99%, low water content).

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