Tetrabutylammonium Trifluoromethanesulfonate - ≥98% , CAS No.35895-70-6

CAS: 35895-70-6 Cat. No.: T162047 Molecular Weight: 391.53 Beilstein Registry Number: 4172980 EC Number: 252-783-5 PubChem CID: 2733306

GRADE & PURITY ≥98%

Synonyms

Tetrabutylammonium trifluoromethanesulfonate | tetrabutylazanium trifluoromethanesulfonate | tetrabutylazanium;trifluoromethanesulfonate | tetra-n-butylammonium trifluoromethanesulphonate | AS-15202 | SCHEMBL160605 | Tetrabutylammonium triflate | Trifluor

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Tetrabutylammonium trifluoromethanesulfonate | tetrabutylazanium trifluoromethanesulfonate | tetrabutylazanium;trifluoromethanesulfonate | tetra-n-butylammonium trifluoromethanesulphonate | AS-15202 | SCHEMBL160605 | Tetrabutylammonium triflate | Trifluor

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760992
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760992
• Canonical Smiles: CCCC[N+](CCCC)(CCCC)CCCC.C(F)(F)(F)S(=O)(=O)[O-]
• IUPAC Name: tetrabutylazanium;trifluoromethanesulfonate
• InChIKey: YNJQKNVVBBIPBA-UHFFFAOYSA-M
• INCHI: 1S/C16H36N.CHF3O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)8(5,6)7/h5-16H2,1-4H3;(H,5,6,7)/q+1;/p-1
• Isomeric SMILES: CCCC[N+](CCCC)(CCCC)CCCC.C(F)(F)(F)S(=O)(=O)[O-]
• WGK Germany: 3
• PubChem CID: 2733306
• Molecular Weight: 391.53
• Beilstein: 4172980
• Reaxy-Rn: 4172978

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives
        • Level5 Alkanesulfonic acids and derivatives
          • Level6 Alkanesulfonic acids
            • Level7 Trifluoromethanesulfonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Alkanesulfonic acids and derivatives - Alkanesulfonic acids
• Direct Parent: Trifluoromethanesulfonates
• Alternative Parents: Tetraalkylammonium salts Sulfonyls Organosulfonic acids Methanesulfonates Trihalomethanes Organopnictogen compounds Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Amines Alkyl fluorides
• Molecular Framework: Not available
• Substituents: Trifluoromethanesulfonate - Methanesulfonate - Quaternary ammonium salt - Organosulfonic acid - Sulfonyl - Tetraalkylammonium salt - Trihalomethane - Halomethane - Hydrocarbon derivative - Organic salt - Amine - Alkyl halide - Alkyl fluoride - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl group.
• 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

Associated Targets(non-human)

Staphylococcus epidermidis (22802 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible in watetr. Soluble in methanol(0.1 g/mL)
• Sensitivity: Moisture sensitive
• Melt Point(°C): 112-115℃
• Molecular Weight: 391.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 391.237 Da
• Monoisotopic Mass: 391.237 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 261.000
• 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. Man Zhao, Rong Zhang, Zimei Fu, He Xiao, Meng Bai, Li Zhang, Junming Zhang, Jianfeng Jia, Nianjun Yang.  (2023)  Revealing operando reconstruction effect of Ni–Co dual-cation in black phosphorus for promoting oxygen evolution reaction.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,      [PMID:] [10.1016/j.ijhydene.2023.12.084]

2. Man Zhao, Shoufeng Xue, He Xiao, Jianru Gao, Xiaoru Cheng, Yanying Jing, Jianfeng Jia, Haishun Wu.  (2022)  Facile in-situ electrochemical fabrication of highly efficient nickel hydroxide-iron hydroxide/graphene hybrid for oxygen evolution reaction.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,      [PMID:] [10.1016/j.ijhydene.2022.01.244]

3. Chun-Yan Liu, Yun Chen, Jun Hu.  (2024)  Identification of the Electrogenerated Hidden Nitrenium Ions by In Situ Mass Spectrometry.  ANALYTICAL CHEMISTRY,      [PMID:38295431] [10.1021/acs.analchem.3c04315]

4. He Xiao, Wenxiang Wang, Man Zhao, Zimei Fu, Meng Bai, Li Zhang, Junming Zhang, Ergui Luo, Jian Zhang, Haishun Wu, Jianfeng Jia.  (2024)  Insights into synergetic modulation of nickel sites over graphene by introducing tungsten and light for efficient methanol electrooxidation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.151415]

5. Man Zhao, Wei Wen, Chunmei Liu, Qinyun Yan, Shuai He, He Xiao, Li Zhang, Junming Zhang, Xiaofeng Gao, Jianfeng Jia.  (2025)  Electrolyte-mediated Cu+/Cu0 ratio control in Cu/graphene catalysts for divergent CO2 electroreduction pathways.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40812060] [10.1016/j.jcis.2025.138687]

6. Wei Wen, Zimei Fu, Man Zhao, Na Gao, Qinyun Yan, Liwu Qiang, Shuai He, Ze Wang, Lifang Shi, He Xiao, Jianfeng Jia.  (2025)  Direct urea oxidation pathway enabled by Mo-regulated Ni2P-MoOx heterostructures on black phosphorus for wastewater remediation.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2025.184013]

7. Yingxuan Zhao, Chenyang Shen, Qing Liu, Siyuan Zhao, Ruiyao Zhao, Xiangke Guo, Nianhua Xue, Luming Peng, Xuefeng Guo, Yan Zhu, Weiping Ding.  (2026)  Electrocatalytic oxidation or amidation of olefins by asymmetric electrolytes steering carbocation pathways.  GREEN CHEMISTRY,      [PMID:] [10.1039/D5GC07050C]

8. Cui Yuhang, Zhu Danlei, Chen Jiawei, Dong Shuyue, Cheng Yuanzhuang, Liu Xiangyu, Yan Xinghua, Jin Zicong, Duan Lian, Xu Jian, Ma Dongxin.  (2026)  Ion-pair pinning on perovskite quantum dots for high-efficiency air-processed light-emitting diodes with Rec. 2020 compliance.  Light-Science & Applications,  15  (1): (151).  [PMID:] [10.1038/s41377-026-02247-z]