1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide（BMIMTFSI） - ≥98% , CAS No.174899-83-3

CAS: 174899-83-3 Cat. No.: B101513 Molecular Weight: 419.36 EC Number: 605-742-4

GRADE & PURITY ≥98%

Synonyms

MFCD05664714 | 1-butyl-3-methylimidazolium bis(trifluoromethylsulphonyl)imide | 1-Butyl-3-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide | DTXSID0049234 | 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide | 1-BUTYL-3-METHYLIMIDAZ

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide is a hydrophobic ionic liquid that can enhance the activity of N,N,N′,N′-tetra(n-octyl)diglycolamide (TODGA) extractant in the extraction of uranium(VI) from an aqueous nitric acid media.

Specifications

Synonyms

MFCD05664714 | 1-butyl-3-methylimidazolium bis(trifluoromethylsulphonyl)imide | 1-Butyl-3-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide | DTXSID0049234 | 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide | 1-BUTYL-3-METHYLIMIDAZ

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766219
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766219
• Canonical Smiles: CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-butyl-3-methylimidazol-3-ium
• InChIKey: INDFXCHYORWHLQ-UHFFFAOYSA-N
• INCHI: 1S/C8H15N2.C2F6NO4S2/c1-3-4-5-10-7-6-9(2)8-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-8H,3-5H2,1-2H3;/q+1;-1
• Isomeric SMILES: CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• WGK Germany: 2
• Molecular Weight: 419.36
• Reaxy-Rn: 8663265
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8663265&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 N-substituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: N-substituted imidazoles
• Alternative Parents: Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Trihalomethanes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Not available
• Substituents: N-substituted imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Trihalomethane - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic salt - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
• 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

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pol Human immunodeficiency virus type 1 integrase (9041 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water; Soluble in dichloromethane
• Sensitivity: Moisture sensitive；Air sensitive
• Refractive Index: 1.428
• Flash Point(°F): >392 ℉
• Flash Point(°C): >200°C
• Melt Point(°C): -2°C(lit.)
• Molecular Weight: 419.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 419.041 Da
• Monoisotopic Mass: 419.041 Da
• Topological Polar Surface Area: 94.900 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 467.000
• 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

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16. Xiqian Zhang, Danni Wang, Jiahui Shao, Haijiao Mao, Chuan-Fan Ding, Yinghua Yan.  (2024)  Hydrophilic materials based on hydrogel polymers for enrichment of glycopeptides from serum of colorectal cancer patients.  JOURNAL OF SEPARATION SCIENCE,  47  (16): (2400310).  [PMID:39164910] [10.1002/jssc.202400310]

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21. Lin Chen, Yirou Du, Yuhui Xie, Guowei Jia, Yuanzhi Zhu, Dong Feng, Yang Meng, Yi Mei, Delong Xie.  (2025)  MXene-Enhanced PEGDA Crosslinked Quasi-Solid Electrolytes: A Flame-Retardant 3D Network for High-Performance Sodium-Ion Batteries.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D5TA03060A]

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24. Ying Wu Bin, Kim Joo Sung, Kong Zhengyang, Yu Zhe, Boahen Elvis K., Li Fenglong, Chen Chao, Tian Ying, Kim Ji Hong, Choi Hanbin, Lee Jung-Yong, Zhu Jin, Kim Do Hwan.  (2025)  A reconfigurable piezo-ionotropic polymer membrane for sustainable multi-resonance acoustic sensing.  Nature Communications,  16  (1): (1-13).  [PMID:40897692] [10.1038/s41467-025-63643-4]

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27. Kun Li, Anjun Hu, Ruizhe Xu, Wang Xu, Borui Yang, Ting Li, Yuanjian Li, Zhi Wei Seh, Jianping Long, Shimou Chen.  (2025)  Decoupled Ion Transport via Triadic Molecular Synergy in Flame-Retardant Quasi-Solid Electrolytes for Safe Lithium Metal Batteries.  Advanced Energy Materials,      [PMID:] [10.1002/aenm.202501236]

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29. Tao Sun, Wenjing Yue, Tao Sun, Hongsen Niu, Yang Li.  (2025)  A “One-Stone-Two-Birds” Strategy Constructed Hybrid Wearable Device Based on Chameleon-Inspired Integrated Pressure Sensing and Visualization.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202503841]

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31. Rong Zheng, Nan Jiang, Baojun Wang, Chengyi Hou, Qinghong Zhang, Hongzhi Wang, Yaogang Li, Kerui Li.  (2025)  Regulating the gradient water distribution via hydro-philic/phobic compositional design in ionogels for stable zinc ion batteries.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.162991]

32. Yuxin Xue, Qiong Lin, Xiangfeng Sun, Dongxia Li, Yulin Fu, Zhiqi Li, Yuanhao Shi, Chongxian Luo, Xuefeng Gui, Kai Xu.  (2025)  3D Silsesquioxane Cage-Based Covalent Organic Frameworks Enabling Efficient Ion Transport in Quasi-Solid-State Lithium Metal Batteries.  Small,      [PMID:40237118] [10.1002/smll.202501988]

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34. Zewei Ye, Haomeng Yu, Hongxia Xie, Wenwen Zhu, Shitao Shi, Chencong Liu, Yuanyuan Wang, Jiaqi Liao, Qingfeng Sun, Dawei Zhao, Xiaoping Shen.  (2025)  Flame-Retardant Ionogel Enabled by Lignin Molecular Networks for Fire Rescue.  Advanced Science,      [PMID:40559707] [10.1002/advs.202506901]

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36. Chen Shaojun, Deng Yujie, Zhang Yonghang, Guo Sisi, Zhuo Haitao, Lu Wei, Wu Bing.  (2025)  Self-healing ionic gels for wearable strain sensors: synthesis, characterization, and applications in human motion detection.  JOURNAL OF MATERIALS SCIENCE,      [PMID:] [10.1007/s10853-025-11199-5]

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