Tributylmethylammonium Bis(trifluoromethanesulfonyl)imide - ≥98% , CAS No.405514-94-5

CAS: 405514-94-5 Cat. No.: T121242 Molecular Weight: 480.53 EC Number: 643-020-0 PubChem CID: 44630019

GRADE & PURITY ≥98%

Synonyms

D70793 | N,N-Dibutyl-N-methylbutan-1-aminium bis((trifluoromethyl)sulfonyl)amide | Tox21_200582 | o-Iodohippuric acid, United States Pharmacopeia (USP) Reference Standard | DTXSID0047905 | SY075518 | CAS-405514-94-5 | Tributylmethylammonium bis(trifluorom

Storage

Room temperature

Shipped In

Normal

Overview

Description:
Tributylmethylammonium bis(trifluoromethylsulfonyl)imide is a class of electrolytic materials that can be used in the fabrication of lithium-ion batteries. Lithium-ion batteries consist of anode, cathode, and electrolyte with a charge-discharge cycle. These materials enable the formation of greener and sustainable batteries for electrical energy storage.
Application：Ionic liquids (ILs) are molten salts with melting points lower than 100 °C. They usually consist of pair of organic cation and anion. ILs exhibit unique properties such as non-volatility, high thermal stability, and high ionic conductivity and find applications as electrolytes in lithium/sodium ion batteries and dye-sensitized solar cells. They are also used as media for synthesis of conducting polymers and intercalation electrode materials.

Specifications

Synonyms

D70793 | N, N-Dibutyl-N-methylbutan-1-aminium bis((trifluoromethyl)sulfonyl)amide | Tox21_200582 | o-Iodohippuric acid, United States Pharmacopeia (USP) Reference Standard | DTXSID0047905 | SY075518 | CAS-405514-94-5 | Tributylmethylammonium bis(trifluorom

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201045
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201045
• Canonical Smiles: CCCC[N+](C)(CCCC)CCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• IUPAC Name: bis(trifluoromethylsulfonyl)azanide;tributyl(methyl)azanium
• InChIKey: XALVHDZWUBSWES-UHFFFAOYSA-N
• INCHI: 1S/C13H30N.C2F6NO4S2/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-13H2,1-4H3;/q+1;-1
• Isomeric SMILES: CCCC[N+](C)(CCCC)CCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• PubChem CID: 44630019
• Molecular Weight: 480.53
• Reaxy-Rn: 9106704

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids and derivatives
• Alternative Parents: Sulfonyls Trihalomethanes Organofluorides Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Not available
• Substituents: Sulfonyl - Organosulfonic acid or derivatives - Trihalomethane - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids and derivatives. These are compounds containing a sulfonic acid or derivative, with the general structure RS(=O)2X (R=alkyl, aryl; X=any heteroatom).
• 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

• Refractive Index: 1.43
• Molecular Weight: 480.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 480.155 Da
• Monoisotopic Mass: 480.155 Da
• Topological Polar Surface Area: 86.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 472.000
• 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. Shengliang Zhang, Yutao Peng, Jing Zhao, Zengjie Fan, Bing Ding, Jim Yang Lee, Xiaogang Zhang, Yimin Xuan.  (2022)  Amorphous and Porous Tungsten Oxide Films for Fast-Switching Dual-Band Electrochromic Smart Windows.  Advanced Optical Materials,  11  (1): (2202115).  [PMID:] [10.1002/adom.202202115]

2. Huang Zekun, Peng Yutao, Zhao Jing, Zhang Shengliang, Qi Penglu, Qu Xianlin, Yan Fuqiang, Ding Bing, Xuan Yimin, Zhang Xiaogang.  (2024)  An Efficient and Flexible Bifunctional Dual-Band Electrochromic Device Integrating with Energy Storage.  Nano-Micro Letters,  17  (1): (1-16).  [PMID:39729147] [10.1007/s40820-024-01604-0]