Cat No:BME-0106
Lithium bis(nonafluorobutanesulfonyl)imide, often shortened to LiNFSI or LiBETI, extends the familiar imide anion family by two CF2 units on each side. The longer perfluoroalkyl chains make the anion more charge-delocalised and considerably more hydrophobic, which shows up as improved oxidative stability and, notably, reduced corrosion of the aluminium current collector at high potential. Those two properties are the reason it is examined for high-voltage cathodes where the shorter TFSI analogue struggles. It dissolves in methanol and many aprotic solvents but is strongly hygroscopic, so it is stored cold under argon and shipped cold. It is classified as corrosive, UN 1759, hazard class 8.
| Chemical Formula | C8F18LiNO4S2 |
| Molecular Weight | 587.12 g/mol |
| Storage Conditions | 2-8°C, under argon. |
| Purity | ≥95% |
| Primary Application | Conducting salt and additive for high-voltage lithium-ion and lithium metal electrolytes; aluminium current collector corrosion mitigation studies. |
| EC Number | 692-764-2 |
| English Synonyms | LiNFSI; Bis(nonafluorobutanesulfonyl)imide lithium salt; lithium bis(1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonyl)imide |
| Molecular Type | Small molecule |
| Solubility | Soluble in methanol. |
| Sensitivity | Hygroscopic. |
| PubChem SID | 528770461 |
| IUPAC Name | lithium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide |
| InChI | 1S/C8F18NO4S2.Li/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(28,29)27-33(30,31)8(25,26)4(15,16)2(11,12)6(20,21)22;/q-1;+1 |
| InChI Key | QIWLMMWTZVIAFK-UHFFFAOYSA-N |
| SMILES | [Li+].C(C(C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F |
| Isomeric SMILES | [Li+].C(C(C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F |
| Reaxys RN | 9832340 |
| UN Number | 1759 |
| Packing Group | II |
| Hazard Class | 8 |
| GHS Pictograms | GHS05 |
| Signal Word | Danger |
| Hazard Statements | H314: Causes severe skin burns and eye damage. H318: Causes serious eye damage. |
| Precautionary Statements | P260: Do not breathe dust, fume, gas, mist, vapours or spray. P264: Wash thoroughly after handling. P280: Wear protective gloves, protective clothing, eye protection and face protection. P301+P330+P331: IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P302+P361+P354: IF ON SKIN: Take off immediately all contaminated clothing. Rinse skin with water immediately for several minutes. P304+P340: IF INHALED: Remove person to fresh air and keep comfortable for breathing. P305+P354+P338: IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P316: Get emergency medical help immediately. P321: Specific treatment (see label). P363: Wash contaminated clothing before reuse. P405: Store locked up. P501: Dispose of contents and container in accordance with local regulations. |
| Shipping Conditions | Cold chain transport. |
| Available Package Sizes | 250 mg, 1 g |
| Hydrogen Bond Acceptor Count | 23 |
| Rotatable Bond Count | 8 |
| Exact Mass | 586.914 Da |
| Monoisotopic Mass | 586.914 Da |
| Topological Polar Surface Area | 86.000 Ų |
| Heavy Atom Count | 34 |
| Complexity | 876.000 |
| Covalently Bonded Unit Count | 2 |
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