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Choline bis(trifluoromethylsulfonyl)imide combines a cholinium cation with a highly delocalized TFSI anion, giving the material distinctive ionic and physicochemical characteristics.
Choline bis(trifluoromethylsulfonyl)imide's combination of conductivity, low volatility, and adaptable phase behavior supports its use in electrochemical, extraction, and materials-science applications.
Choline bis(trifluoromethylsulfonyl)imide is especially attractive for research on next-generation electrolytes and functional ionic media.
CAS Number: 827027-25-8
EC Number: 801-475-4
Molecular Formula: C5H14NO • C2F6NO4S2
Molecular Weight: 384.30 g/mol
Synonyms: Choline bis(trifluoromethylsulfonyl)imide, RefChem:576077, 801-475-4, 827027-25-8, Choline bis(trifluoromethylsulfonyl)imde, 2-Hydroxy-N,N,N-trimethylethan-1-aminium bis((trifluoromethyl)sulfonyl)amide, DTXSID3047922, Choline bis(trifluoromethanesulfonyl)imide, MFCD17018974, bis(trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)azanium, choline bistriflimide, 2-Hydroxy-N,N,N-trimethylethanaminium salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide, SCHEMBL933567, C7H14F6N2O5S2, CHEMBL3187839, DTXCID6027898, Tox21_200599, NCGC00258153-01, BS-52878, FH103048, CAS-827027-25-8, choline bis(trifluoromethylsulfonyl)imide salt, F71620, bis(trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)ammonium, 2-Hydroxy-N,N,N-trimethylethan-1-aminium bis(trifluoromethanesulfonyl)azanide
Choline bis(trifluoromethylsulfonyl)imide is an ionic liquid.
Choline bis(trifluoromethylsulfonyl)imide can be used to extract phenols and organic compounds from aqueous solutions.
Choline bis(trifluoromethylsulfonyl)imide can also be used as an electrolyte for low-temperature electrochemical energy storage.
Choline bis(trifluoromethylsulfonyl)imide is a choline-based ionic compound composed of a cholinium cation and a bis(trifluoromethylsulfonyl)imide (TFSI) anion.
Choline bis(trifluoromethylsulfonyl)imide is studied as an ionic-liquid/electrolyte material because of its ionic conductivity, relatively low melting point, and useful electrochemical properties.
Applications include electrochemical energy-storage systems, liquid–liquid extraction, separation processes, and thermoresponsive ionic-liquid systems.
Choline bis(trifluoromethylsulfonyl)imide, with the CAS number 827027-25-8, is an ionic liquid characterized by its unique structure and properties.
Choline bis(trifluoromethylsulfonyl)imide consists of a choline cation and a bis(trifluoromethylsulfonyl)imide anion, which contributes to its high thermal stability and low volatility.
Choline bis(trifluoromethylsulfonyl)imide is typically colorless to pale yellow and exhibits excellent solubility in various organic solvents, making it suitable for a range of applications in organic synthesis and electrochemistry.
Choline bis(trifluoromethylsulfonyl)imide's ionic nature imparts good conductivity, which is beneficial for use in batteries and supercapacitors.
Additionally, choline bis(trifluoromethylsulfonyl)imide is known for its non-hygroscopic nature and low toxicity, making it an attractive alternative to traditional solvents and electrolytes.
The trifluoromethylsulfonyl groups enhance its chemical stability and solvation properties, allowing it to function effectively in diverse chemical environments.
Overall, Choline bis(trifluoromethylsulfonyl)imide is valued for its unique combination of properties that facilitate its use in advanced materials and energy storage technologies.
Uses of Choline Bis(Trifluoromethylsulfonyl)Imide:
Choline bis(trifluoromethylsulfonyl)imide can be used to maintain long-term antistatic properties.
Choline bis(trifluoromethylsulfonyl)imide is used as an ionic-liquid component in electrochemical and electrolyte systems.
Choline bis(trifluoromethylsulfonyl)imide is used in the development of batteries, supercapacitors, and other energy-storage technologies.
Choline bis(trifluoromethylsulfonyl)imide is used as a functional medium in separation, extraction, and solvent systems.
Choline bis(trifluoromethylsulfonyl)imide is used in research on thermoresponsive and phase-separating ionic-liquid mixtures.
Choline bis(trifluoromethylsulfonyl)imide is used in electrochemical studies requiring stable and highly ionic media.
Choline bis(trifluoromethylsulfonyl)imide is used in materials science for the preparation and investigation of advanced ionic and conductive materials.
Electrolytes:
Choline bis(trifluoromethylsulfonyl)imide is used as an ionic component in electrolyte formulations for electrochemical systems.
Energy Storage:
Choline bis(trifluoromethylsulfonyl)imide is investigated for use in batteries, supercapacitors, and other advanced energy-storage technologies.
Ionic Liquids:
Choline bis(trifluoromethylsulfonyl)imide is used in the preparation and study of choline-based ionic-liquid systems.
Separation Processes:
Choline bis(trifluoromethylsulfonyl)imide is applied as a functional medium in extraction, separation, and phase-transfer processes.
Thermoresponsive Systems:
Choline bis(trifluoromethylsulfonyl)imide is used in research involving temperature-dependent phase behavior and thermoresponsive ionic-liquid mixtures.
Electrochemical Research:
Choline bis(trifluoromethylsulfonyl)imide is employed in studies requiring conductive and ion-rich media.
Materials Science:
Choline bis(trifluoromethylsulfonyl)imide is used in the development and characterization of advanced ionic and conductive materials.
Stability and Reactivity of Choline Bis(Trifluoromethylsulfonyl)Imide:
Chemical Stability:
Stable under recommended conditions of use and storage.
Reactivity:
No dangerous reactions are known under normal conditions.
Conditions to Avoid:
Avoid excessive heat and contact with incompatible reactive materials.
Incompatible Materials:
Strong oxidizing agents and strong bases should be avoided.
Hazardous Decomposition Products:
At high temperatures, decomposition may generate carbon monoxide, carbon dioxide, nitrogen oxides and hydrogen fluoride.
Handling and Storage of Choline Bis(Trifluoromethylsulfonyl)Imide:
Safe Handling:
Avoid inhalation of dust or mist and prevent contact with skin and eyes.
Handle with adequate ventilation and appropriate protective equipment.
Storage Conditions:
Keep the container tightly closed in a dry, well-ventilated area and store according to the supplier's recommended conditions.
First Aid Measures of Choline Bis(Trifluoromethylsulfonyl)Imide:
Inhalation:
Move the affected person to fresh air and keep comfortable for breathing.
Obtain immediate medical attention if exposure causes symptoms.
Skin Contact:
Immediately remove contaminated clothing and wash the affected area thoroughly with water and soap.
Eye Contact:
Rinse cautiously with plenty of water for several minutes, remove contact lenses if possible and continue rinsing.
Seek immediate medical attention.
Ingestion:
Rinse the mouth with water.
Do not induce vomiting and obtain immediate medical attention.
Firefighting Measures of Choline Bis(Trifluoromethylsulfonyl)Imide:
Suitable Extinguishing Media:
Use extinguishing media appropriate for the surrounding fire.
Water spray, carbon dioxide or dry chemical agents may be used.
Specific Hazards:
Heating or combustion may generate hazardous or corrosive decomposition fumes.
Protective Equipment:
Firefighters should use appropriate protective equipment and self-contained breathing apparatus when hazardous fumes may be present.
Accidental Release Measures of Choline Bis(Trifluoromethylsulfonyl)Imide:
Personal Precautions:
Wear suitable protective equipment, keep unprotected personnel away and ensure adequate ventilation.
Environmental Precautions:
Prevent the material from entering drains, surface water or groundwater.
Cleanup Methods:
Carefully collect the spilled material while minimizing dust formation and place it in a suitable closed container for disposal.
Exposure Controls/Personal Protective of Choline Bis(Trifluoromethylsulfonyl)Imide:
Engineering Controls:
Provide adequate ventilation and minimize the generation of airborne dust or mist.
Eye Protection:
Wear tightly sealed safety goggles or suitable eye and face protection.
Hand Protection:
Wear impermeable, chemical-resistant protective gloves.
Skin Protection:
Wear suitable protective clothing to prevent skin contact.
Respiratory Protection:
Use appropriate respiratory protection when ventilation is insufficient or significant airborne exposure may occur.
General Hygiene:
Wash hands thoroughly after handling and remove contaminated clothing before reuse.
Identifiers of Choline Bis(Trifluoromethylsulfonyl)Imide:
CAS Number: 827027-25-8
EC Number: 801-475-4
Molecular Weight: 384.30 g/mol
PubChem CID: 53260965
IUPAC Name: (trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)azanium
SMILES: (C)(C)CCO.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
Formula: C7H14F6N2O5S2
InChI: InChI=1S/C5H14NO.C2F6NO4S2/c1-6(2,3)4-5-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7H,4-5H2,1-3H3;/q+1;-1
InChI key: XFXJXURAALDGSW-UHFFFAOYSA-N
SMILES: C[N+](C)(C)CCO.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
Formal Name: 2-hydroxy-N,N,N-trimethyl-ethanaminium salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide
CAS Number: 827027-25-8
Molecular Formula: C5H14NO • C2F6NO4S2
Formula Weight: 384.3
Purity: ≥98%
Formulation: A low melting solid
SMILES: O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O.OCC[N+](C)(C)C
InChi Code: InChI=1S/C5H14NO.C2F6NO4S2/c1-6(2,3)4-5-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7H,4-5H2,1-3H3;/q+1;-1
InChi Key: XFXJXURAALDGSW-UHFFFAOYSA-N
CAS No: 827027-25-8
Chemical Name: CHOLINE BIS(TRIFLUOROMETHYLSULFONYL)IMIDE
CBNumber: CB42469818
Molecular Formula: C7H14F6N2O5S2
Molecular Weight: 384.3168792
Properties of Choline Bis(Trifluoromethylsulfonyl)Imide:
Appearance: Colorless to pale yellow liquid or low-melting solid
Physical Form: Ionic liquid / low-melting ionic compound
Molecular Formula
Molecular Weight:384.30 g/mol
Melting Point 35–37°C
Density 1.51 g/cm³ at 25°C
Viscosity 49.5 cP at 45°C
Ionic Conductivity 3.98 mS/cm at 45°C
Molecular Weight: 384.3 g/mol
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 12
Rotatable Bond Count: 4
Exact Mass: 384.02483287 Da
Monoisotopic Mass: 384.02483287 Da
Topological Polar Surface Area: 106 Ų
Heavy Atom Count: 22
Complexity: 420
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 2
Compound Is Canonicalized: Yes
Melting point: -10-18℃
Density: 1.522 g/cm3(Temp: 20.00 °C)
Viscosity: 49.5 cP (45 °C)
InChI: InChI=1S/C5H14NO.C2F6NO4S2/c1-6(2,3)4-5-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7H,4-5H2,1-3H3;/q+1;-1
InChIKey: XFXJXURAALDGSW-UHFFFAOYSA-N
SMILES: [N-](S(C(F)(F)F)(=O)=O)S(C(F)(F)F)(=O)=O.[N+](CCO)(C)(C)C
