Lithium bis(trifluoromethanesulfonyl)imide
Catalog Number
ACM90076656-2
CAS
90076-65-6
IUPAC Name
lithium;bis(trifluoromethylsulfonyl)azanide
Synonyms
lithium;bis(trifluoromethylsulfonyl)azanide
Application
Lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) plays a pivotal role in various electrical and electronic applications due to its high solubility in water and ability to weakly coordinate with cations. It serves multiple purposes, including the preparation of chiral imidazolium salts via anion metathesis and enhancing the conductivity and hole mobility of Spiro-OMeTAD in perovskite solar cells, akin to its role in solid-state dye-sensitized solar cells. Additionally, LiTFSI is beneficial in organic electrolyte-based lithium batteries, both primary and secondary, and is also instrumental in the development of rare-earth Lewis acid catalysts. Notably, LiTFSI is preferred over lithium hexafluorophosphate (LiPF6) due to its improved safety profile. Furthermore, recent advancements by researchers have significantly reduced the time required for doping processes involving LiTFSI and Spiro-OMeTAD, enhancing efficiency in the production of perovskite solar cells.
Molecular Weight
287.09
Molecular Formula
C2F6LiNO4S2
Product Information
Description
PelletsLargeCrystals
Canonical SMILES
[Li+].C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+1
InChI Key
QSZMZKBZAYQGRS-UHFFFAOYSA-N
Melting Point
234-238 °C
Purity
98%
Appearance
White hygroscopic powder
Storage
Store under inert gas
Complexity
379
Condition to avoid
Moisture Sensitive
Exact Mass
286.93329724
Hazard Statements
H301 + H311 : Toxic if swallowed or in contact with skin.H314 : Causes severe skin burns and eye damage.H412 : Harmful to aquatic life with long lasting effects.
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
11
Hydrogen Bond Donor Count
0
MDL Number
MFCD14156019
Monoisotopic Mass
286.93329724
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.P260 : Do not breathe dusts or mists.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.P301 + P330 + P331 : IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor.P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.P405 : Store locked up.
Reaxys Registry Number
6625414
Refractive Index
1.49
Rotatable Bond Count
2
Signal Word
Danger
Solubility In Water
Soluble
Specific Gravity
0.90
Topological Polar Surface Area
86 Ų
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