Ammonium trifluoromethanesulfonate - ≥99% , CAS No.38542-94-8

CAS: 38542-94-8 Cat. No.: A474312 Molecular Weight: 167.11 EC Number: 629-264-0

GRADE & PURITY ≥99%

Synonyms

Ammoniumtrifluoromethanesulfonate | azanium;trifluoromethanesulfonate | D94729 | SCHEMBL137559 | DTXSID50578805 | Ammonium triflate | Ammonium trifluoromethanesulfonate | MFCD00075332

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

Application：

Ammonium trifluoromethanesulfonate can be used as:
A dopant in the preparation of flexible poly(vinylidene fluoride-co-hexafluoropropylene)/polyethyl methacrylate ammonium triflate (PVDf-HFP/PEMA-NH4CF3SO3)polymer electrolyte films.
A cathode additive in proton exchange membrane (PEM) fuel cells to increase the local oxygen concentration near the Pt catalyst, which enhances single-cell performance.

Specifications

Synonyms

Ammoniumtrifluoromethanesulfonate | azanium;trifluoromethanesulfonate | D94729 | SCHEMBL137559 | DTXSID50578805 | Ammonium triflate | Ammonium trifluoromethanesulfonate | MFCD00075332

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504767963
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767963
• Canonical Smiles: C(F)(F)(F)S(=O)(=O)[O-].[NH4+]
• IUPAC Name: azanium;trifluoromethanesulfonate
• InChIKey: BMWDUGHMODRTLU-UHFFFAOYSA-N
• INCHI: 1S/CHF3O3S.H3N/c2-1(3,4)8(5,6)7;/h(H,5,6,7);1H3
• Isomeric SMILES: C(F)(F)(F)S(=O)(=O)[O-].[NH4+]
• Molecular Weight: 167.11
• Reaxy-Rn: 14190212
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14190212&ln=

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: Sulfonyls Quaternary ammonium salts Organosulfonic acids Methanesulfonates Trihalomethanes Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Amines Alkyl fluorides Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trifluoromethanesulfonate - Methanesulfonate - Quaternary ammonium salt - Organosulfonic acid - Sulfonyl - Trihalomethane - Hydrocarbon derivative - Organic salt - Organic oxide - Organic oxygen compound - Organosulfur compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Halomethane - Organic cation - 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Melt Point(°C): 224-226℃ (lit.)
• Molecular Weight: 167.110 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 166.986 Da
• Monoisotopic Mass: 166.986 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 145.000
• 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. Junsen Zhong, Bingkun Huang, Jianxin Song, Xiaolong Zhang, Lingyu Du, Yanfeng Gao, Wei Liu, Litao Kang.  (2023)  Stable WO3 electrochromic system based on NH4+ hydrogen bond chemistry.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.148098]

2. 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]