Description

1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane (CAS 16627-71-7) is a high-purity fluorinated ether compound with the molecular formula C₇H₄F₁₂O. This specialty chemical is designed for advanced electrochemical applications, particularly as a co-solvent in high-voltage lithium-ion battery electrolytes. Its unique perfluorinated structure provides exceptional oxidative stability, making it ideal for use with high-potential cathode materials like LiNi_1/3Co_1/3Mn_1/3O₂ (NCM). The compound is synthesized under strict quality control measures to ensure batch-to-batch consistency, with typical purity levels exceeding 99.5%. Available in research quantities up to bulk orders, this product is packaged under inert atmosphere to maintain its chemical integrity. Technical specifications include: molecular weight of 308.09 g/mol, density of ~1.6 g/cm³ at 25°C, and boiling point of approximately 120-125°C.

Properties

• CAS Number: 16627-71-7
• Complexity: 324
• IUPAC Name: 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
• InChI: InChI=1S/C7H4F12O/c8-2(9)5(14,15)7(18,19)4(12,13)1-20-6(16,17)3(10)11/h2-3H,1H2
• InChI Key: ZNBGTBKGFZMWKR-UHFFFAOYSA-N
• Exact Mass: 332.0070527
• Molecular Formula: C7H4F12O
• Molecular Weight: 332.09
• SMILES: C(C(C(C(C(F)F)(F)F)(F)F)(F)F)OC(C(F)F)(F)F
• Topological: 9.2
• Monoisotopic Mass: 332.0070527
• Synonyms: 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane, 671-798-1, 16627-71-7, 1H,1H,5H-Perfluoropentyl-1,1,2,2-tetrafluoroethylether, 1h,1h,5h-octafluoropentyl 1,1,2,2-tetrafluoroethyl ether, 1H,1H,5H-Octafluoropentyl-1,1,2,2-tetrafluoroethyl ether, MFCD00155904, SCHEMBL4881980, 1H,1H,5H-Octafluoropentyl-1,1,2,2-tetrafluoroethylether, DTXSID20382158, 2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane, AKOS005762836, BS-27505, SY050290, NS00018812, O0422, D91869, 1h,1h,5h-perfluoropentyl-1,1,2,2-tetrafluoroethyl ether, 2,2,3,3,4,4,5,5-Octafluoropent-1-yl 2H-tetrafluoroethyl ether, 2,2,3,3,4,4,5,5-Octafluoropentyl 1,1,2,2-Tetrafluoroethyl Ether, 1H pound not1H pound not5H-Octafluoropentyl 1 pound not1 pound not2 pound not2-Tetrafluoroethyl Ether

Application

This fluorinated ether serves as a critical electrolyte co-solvent in advanced lithium-ion batteries, particularly for high-voltage NCM/graphite systems. When blended with carbonate solvents (EC/DEC) and LiPF₆ salt, it significantly improves the oxidative stability of the electrolyte at voltages above 4.5V. The compound’s perfluorinated structure enhances thermal stability while maintaining good ionic conductivity. Researchers utilize it to develop next-generation battery formulations with improved cycle life and safety characteristics. Its application extends to specialty electrochemical systems requiring exceptional stability under extreme conditions.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 104 of 108 companies (only 3.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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