2,2,2-Trifluoroethyl trifluoromethanesulfonate - ≥95% , CAS No.6226-25-1

CAS: 6226-25-1 Cat. No.: T120071 Molecular Weight: 232.1 EC Number: 458-390-7 PubChem CID: 80366

GRADE & PURITY ≥95%

Synonyms

DTXSID1073365 | 2.2.2-trifluoroethyl trifluoromethanesulfonate | trifluoromethane sulfonic acid 2,2,2-trifluoroethyl ester | 2,2,2 Trifluoroethyl Trifluoromathane sulfonate | trifluoroethyl trifluoromethane-sulphonate | AMY6661 | PB47912 | Trifluoromethan

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DTXSID1073365 | 2.2.2-trifluoroethyl trifluoromethanesulfonate | trifluoromethane sulfonic acid 2, 2, 2-trifluoroethyl ester | 2, 2, 2 Trifluoroethyl Trifluoromathane sulfonate | trifluoroethyl trifluoromethane-sulphonate | AMY6661 | PB47912 | Trifluoromethan

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(C(F)(F)F)OS(=O)(=O)C(F)(F)F
• IUPAC Name: 2,2,2-trifluoroethyl trifluoromethanesulfonate
• InChIKey: RTMMSCJWQYWMNK-UHFFFAOYSA-N
• INCHI: 1S/C3H2F6O3S/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2
• Isomeric SMILES: C(C(F)(F)F)OS(=O)(=O)C(F)(F)F
• WGK Germany: 3
• RTECS: PB2775000
• PubChem CID: 80366
• UN Number: 2920
• Packing Group: II
• Molecular Weight: 232.1
• Reaxy-Rn: 2051235

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: Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Trihalomethanes Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trifluoromethanesulfonate - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Sulfonyl - Trihalomethane - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - 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

• Solubility: Slightly soluble in water.
• Sensitivity: Moisture sensitive
• Refractive Index: 1.306
• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Boil Point(°C): 91°C
• Molecular Weight: 232.100 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 231.963 Da
• Monoisotopic Mass: 231.963 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 254.000
• 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: 1

References

1. Li Ruhong, Zhang Haikuo, Zhang Shuoqing, Li Yong, Guo Rui, Pei Haijuan, Yang Ming, Zhang Junbo, Chen Long, Xiao Xuezhang, Chen Lixin, Shen Yanbin, Deng Tao, Fan Xiulin.  (2025)  Unified affinity paradigm for the rational design of high-efficiency lithium metal electrolytes.  Nature Energy,      [PMID:] [10.1038/s41560-025-01842-5]