Lithium Nonafluoro-1-butanesulfonate - ≥95%(T) , CAS No.131651-65-5

CAS: 131651-65-5 Cat. No.: L157767 Molecular Weight: 306.03 EC Number: 671-827-8

GRADE & PURITY ≥95%(T)

Synonyms

AKOS005063536 | FEDFHMISXKDOJI-UHFFFAOYSA-M | A806294 | D91766 | lithium perfluorobutanesulfonate | C4F9LiO3S | Lithium Nonafluoro-1-butanesulfonate, >/=95% | Nonafluoro-1-butanesulfonic Acid Lithium Salt | N0710 | J-006032 | lithium 1,1,2,2,3,3,4,4,4-non

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

AKOS005063536 | FEDFHMISXKDOJI-UHFFFAOYSA-M | A806294 | D91766 | lithium perfluorobutanesulfonate | C4F9LiO3S | Lithium Nonafluoro-1-butanesulfonate, >/=95% | Nonafluoro-1-butanesulfonic Acid Lithium Salt | N0710 | J-006032 | lithium 1, 1, 2, 2, 3, 3, 4, 4, 4-non

Specifications & Purity

≥95%(T)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%(T)

Names and Identifiers

• Pubchem Sid: 504769647
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769647
• Canonical Smiles: [Li+].C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F
• IUPAC Name: lithium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
• InChIKey: FEDFHMISXKDOJI-UHFFFAOYSA-M
• INCHI: 1S/C4HF9O3S.Li/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H,14,15,16);/q;+1/p-1
• Isomeric SMILES: [Li+].C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F
• Molecular Weight: 306.03
• Reaxy-Rn: 4343577
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4343577&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Alkyl halides
      • Subclass Alkyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Alkyl halides
• Subclass: Alkyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Perfluoroalkyl sulfonic acid and derivatives
• Alternative Parents: Sulfonyls Organosulfonic acids Alkanesulfonic acids Organic metal halides Organic lithium salts Organofluorides Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluoroalkyl sulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Organic metal halide - Organic lithium salt - Organic alkali metal salt - Organofluoride - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as perfluoroalkyl sulfonic acid and derivatives. These are organic compounds containing an alkyl chain attached to the sulfur of a sulfonic acid group (or a derivative thereof), where all hydrogens of the alkyl chain are replaced by fluorine atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in methanol, insoluble in acetone
• Sensitivity: Hygroscopic
• Molecular Weight: 306.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 305.958 Da
• Monoisotopic Mass: 305.958 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 393.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Huang He, Hu Yitao, Hou Yajun, Wang Xingkai, Dong Qiujiang, Zhao Zhixin, Ji Mingfang, Zhang Wanxing, Li Jinyang, Xie Jianping, Guo Hao, Han Xiaopeng, Ouyang Xiaoping, Hu Wenbin.  (2025)  Delocalized electrolyte design enables 600 Wh kg−1 lithium metal pouch cells.  NATURE,      [PMID:40804520] [10.1038/s41586-025-09382-4]