CAS 90076-65-6 Lithium bis(trifluoromethanesulfonyl)imide

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Lithium bis(trifluoromethanesulfonyl)imide

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Catalog Number

ACM90076656-2

CAS Number

90076-65-6

Product Name

Lithium bis(trifluoromethanesulfonyl)imide

Category

Battery Materials

Synonyms

lithium;bis(trifluoromethylsulfonyl)azanide

Description

PelletsLargeCrystals

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

Chemical Formula

LiNTF2(LiTFSI)

Complexity

379

Covalently-Bonded Unit Count

EC Number

415-300-0;618-438-1

Exact Mass

286.93329724

Formal Charge

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

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

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.

Refractive Index

1.49

Rotatable Bond Count

Signal Word

Danger

Specific Gravity

0.90

Topological Polar Surface Area

86 Å²

UNII

9Y730392A5

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