Bis(2,2,2-trifluoroethyl) Carbonate (TFEC) - ≥98%(GC) , CAS No.1513-87-7

CAS: 1513-87-7 Cat. No.: B153161 Peso molecular: 226.07 Número EC: 807-996-3

GRADE & PURITY ≥98%(GC)

Synonyms

bistrifluoroethyl carbonate | Carbonic Acid Bis(2,2,2-trifluoroethyl) Ester | D89102 | Bis(2,2,2-trifluoroethyl) Carbonate | DTXSID30778861 | F1905-7010 | EN300-41766 | AKOS026677333 | Carbonic Acid;2,2,2-trifluoroethanol | Z425331144 | SCHEMBL308851 | MF

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Bis(2,2,2-trifluoroethyl) carbonate (DFDEC) is a colorless, odorless, and low viscosity liquid widely used in the battery industry as a high-performance electrolyte additive. Its excellent solubility and compatibility with other electrolyte components combined with its high thermal and electrochemical stability ensure outstanding performance in high-temperature and high-voltage applications. 
Application
Bis(2,2,2-trifluoroethyl) carbonate (DFDEC) is a highly effective electrolyte additive that is widely used in the battery industry to enhance the performance and stability of lithium-ion batteries. Its remarkable thermal and electrochemical stability make it an excellent choice for use in high-temperature and high-voltage applications. Recent studies have also highlighted other benefits of DFDEC in battery applications. For instance, it has been found that DFDEC can improve the cycle performance of lithium metal cells by forming a LiF-rich solid electrolyte interphase (SEI). Additionally, flammability tests have shown that electrolytes containing over 60% v/v of DFDEC do not catch fire, demonstrating its potential as a flame-retardant. These findings highlight the versatility and importance of DFDEC in the development of safe and high-performance battery technologies.

Specifications

Sinónimos

bistrifluoroethyl carbonate | Carbonic Acid Bis(2, 2, 2-trifluoroethyl) Ester | D89102 | Bis(2, 2, 2-trifluoroethyl) Carbonate | DTXSID30778861 | F1905-7010 | EN300-41766 | AKOS026677333 | Carbonic Acid;2, 2, 2-trifluoroethanol | Z425331144 | SCHEMBL308851 | MF

Especificaciones y pureza

≥98%(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

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488197514
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197514
• Sonrisas canónicas: C(C(F)(F)F)OC(=O)OCC(F)(F)F
• IUPAC Name: bis(2,2,2-trifluoroethyl) carbonate
• InChIKey: WLLOZRDOFANZMZ-UHFFFAOYSA-N
• INCHI: 1S/C5H4F6O3/c6-4(7,8)1-13-3(12)14-2-5(9,10)11/h1-2H2
• Isómeros SMILES: C(C(F)(F)F)OC(=O)OCC(F)(F)F
• Peso molecular: 226.07
• Reaxy-Rn: 1912456
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912456&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic carbonic acids and derivatives
      • Subclass Carbonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic carbonic acids and derivatives
• Subclass: Carbonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbonic acid diesters
• Alternative Parents: Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid diester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbonic acid diesters. These are compounds comprising the carbonic acid diester functional 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

Propiedades químicas y físicas

• Índice de refracción: 1.31
• Punto de inflamación (°C): 11 °C
• Punto de ebullición (°C): 118°C(lit.)
• Peso molecular: 226.070 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 226.006 Da
• Monoisotopic Mass: 226.006 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 175.000
• 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. Huang He, Hu Yitao, Hou Yajun, Wang Xingkai, Dong Qiujiang, Zhao Zhixin, Ji Mingfang, Zhang Wanxing, Li Jinyang, Xie Jianping, Guo Hao, Han Xiaopeng, Ouyang Xiaoping, Hu Wenbin.  (2025)  Delocalized electrolyte design enables 600 Wh kg−1 lithium metal pouch cells.  NATURE,      [PMID:40804520] [10.1038/s41586-025-09382-4]