Lithium bis(trifluoromethanesulfonyl)imide

Catalog Number	ACM90076656-2
CAS	90076-65-6
Structure
Description	PelletsLargeCrystals
Synonyms	lithium;bis(trifluoromethylsulfonyl)azanide
IUPAC Name	lithium;bis(trifluoromethylsulfonyl)azanide
Molecular Weight	287.09
Molecular Formula	C2F6LiNO4S2
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
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.
Storage	Store under inert gas
Complexity	379
Covalently-Bonded Unit Count	2
EC Number	415-300-0;618-438-1
Exact Mass	286.93329724
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	0
MDL Number	MFCD14156019
Monoisotopic Mass	286.93329724
Rotatable Bond Count	2
Solubility In Water	Soluble
Topological Polar Surface Area	86 Ų