2,2,2-Trifluoroethyl Nonafluorobutanesulfonate - ≥96%(GC) , CAS No.79963-95-4

CAS: 79963-95-4 Cat. No.: T162156 Peso molecular: 382.12 Número EC: 628-380-9 PubChem CID: 2777144

GRADE & PURITY ≥96%(GC)

Synonyms

DTXSID60380390 | 2,2,2-Trifluoroethyl Nonafluorobutanesulfonate | C6H2F12O3S | Nonafluorobutanesulfonic Acid 2,2,2-Trifluoroethyl Ester | 2,2,2-trifluoroethyl1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate | SCHEMBL286439 | N0677 | 2,2,2-Trifluoroethyl per

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID60380390 | 2, 2, 2-Trifluoroethyl Nonafluorobutanesulfonate | C6H2F12O3S | Nonafluorobutanesulfonic Acid 2, 2, 2-Trifluoroethyl Ester | 2, 2, 2-trifluoroethyl1, 1, 2, 2, 3, 3, 4, 4, 4-nonafluorobutane-1-sulfonate | SCHEMBL286439 | N0677 | 2, 2, 2-Trifluoroethyl per

Especificaciones y pureza

≥96%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%(GC)

Nombres e identificadores

• Pubchem Sid: 504761962
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761962
• Sonrisas canónicas: C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: 2,2,2-trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
• InChIKey: KJGYBFLEIPDFNQ-UHFFFAOYSA-N
• INCHI: 1S/C6H2F12O3S/c7-2(8,9)1-21-22(19,20)6(17,18)4(12,13)3(10,11)5(14,15)16/h1H2
• Isómeros SMILES: C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• WGK Alemania: 3
• PubChem CID: 2777144
• Peso molecular: 382.12
• Reaxy-Rn: 4883369

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Alkyl halides
      • Subclass Alkyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Alkyl halides
• Subclass: Alkyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Perfluoroalkyl sulfonic acid and derivatives
• Alternative Parents: Sulfonic acid esters Organosulfonic acid esters Sulfonyls Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluoroalkyl sulfonic acid or derivatives - Organosulfonic acid ester - Sulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organofluoride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as perfluoroalkyl sulfonic acid and derivatives. These are organic compounds containing an alkyl chain attached to the sulfur of a sulfonic acid group (or a derivative thereof), where all hydrogens of the alkyl chain are replaced by fluorine atoms.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.31
• Punto de inflamación (°F): 159.8 °F
• Punto de inflamación (°C): 71 °C
• Punto de ebullición (°C): 141°C(lit.)
• Peso molecular: 382.130 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 5
• Exact Mass: 381.953 Da
• Monoisotopic Mass: 381.953 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 494.000
• 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

Referencias

1. Zhengping Ding, Ran Song, Yu Shen, Huahui Lin, Peng Wei, Xiangqun Zhuge, Ke Qu, Zhenzhong Yang, Yurong Ren.  (2025)  2,2,2-Trifluoroethyl nonafluorobutanesulfonate as bifunctional electrolyte additive for high-energy-density 4.5 V LiNi0.8Co0.1Mn0.1O2||Li batteries.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2025.146118]