1-Butyl-1-methylpyrrolidinium Bis(fluorosulfonyl)imide - ≥98% , CAS No.1057745-51-3

CAS: 1057745-51-3 Cat. No.: B302146 Molecular Weight: 322.39 EC Number: 833-570-1

GRADE & PURITY ≥98%

Synonyms

T70052 | 1-Butyl-1-methyl-1-pyrrolidinium Bis(fluorosulfonyl)amide | 1-Butyl-1-methylpyrrolidinium bis(fluorosulfonyl)imide | 1-Butyl-1-methylpyrrolidiniumbis(fluorosulfonyl)imide | 1-butyl-1-methylpyrrolidin-1-ium; bis(fluorosulfonyl)azanide | bis(fluoro

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

T70052 | 1-Butyl-1-methyl-1-pyrrolidinium Bis(fluorosulfonyl)amide | 1-Butyl-1-methylpyrrolidinium bis(fluorosulfonyl)imide | 1-Butyl-1-methylpyrrolidiniumbis(fluorosulfonyl)imide | 1-butyl-1-methylpyrrolidin-1-ium; bis(fluorosulfonyl)azanide | bis(fluoro

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCC[N+]1(CCCC1)C.[N-](S(=O)(=O)F)S(=O)(=O)F
• IUPAC Name: bis(fluorosulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium
• InChIKey: RWCIVBBAADOXMK-UHFFFAOYSA-N
• INCHI: 1S/C9H20N.F2NO4S2/c1-3-4-7-10(2)8-5-6-9-10;1-8(4,5)3-9(2,6)7/h3-9H2,1-2H3;/q+1;-1
• Isomeric SMILES: CCCC[N+]1(CCCC1)C.[N-](S(=O)(=O)F)S(=O)(=O)F
• Molecular Weight: 322.39
• Reaxy-Rn: 20871696
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20871696&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass N-alkylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: N-alkylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpyrrolidines
• Alternative Parents: Tetraalkylammonium salts Azacyclic compounds Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpyrrolidine - Tetraalkylammonium salt - Quaternary ammonium salt - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylpyrrolidines. These are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon 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

• Sensitivity: Moisture sensitive
• Refractive Index: 1.45
• Melt Point(°C): -19°C(lit.)
• Molecular Weight: 322.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 322.083 Da
• Monoisotopic Mass: 322.083 Da
• Topological Polar Surface Area: 86.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 324.000
• 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. Pengfei Liu, Yuxin Rao, Huasong Wang, Xue Li, Xiaomin Wang, Miaomiao Yu, Yong Li, Zhihao Yue, Fanglin Wu, Shan Fang.  (2023)  Fluorinated Carbonate-aided Ionic-liquid Electrolyte Enables High-capacity Lithium-metal Batteries.  Batteries & Supercaps,      [PMID:] [10.1002/batt.202300353]

2. Wenjun Lin, Haoyang Yuan, Changhao Tian, Mengyuan Song, Tao Huang, Aishui Yu.  (2024)  Inorganic fillers tailored Li+ solvation sheath for stable lithium metal batteries.  Energy Storage Materials,      [PMID:] [10.1016/j.ensm.2024.103472]