Description

Bis(2,2-difluoroethyl) carbonate (CAS No. 916678-16-5) is a high-purity fluorinated organic compound with the molecular formula C₅H₆F₄O₃. This specialty chemical is characterized by its two 2,2-difluoroethyl groups bonded to a central carbonate moiety, offering unique reactivity and stability for advanced synthetic applications. Ideal for researchers in organofluorine chemistry, this compound serves as a versatile building block for the development of fluorinated polymers, electrolytes, and pharmaceutical intermediates. Each batch is rigorously analyzed by GC-MS, ¹H NMR, and ¹⁹F NMR to ensure >98% purity (HPLC grade). Available in amber glass vials under argon atmosphere to prevent moisture degradation. Synonyms include Ethanol, 2,2-difluoro-, 1,1′-carbonate and bis(2,2-difluoroethyl)carbonate (EC 820-667-9).

Properties

• CAS Number: 916678-16-5
• Complexity: 125
• IUPAC Name: bis(2,2-difluoroethyl) carbonate
• InChI: InChI=1S/C5H6F4O3/c6-3(7)1-11-5(10)12-2-4(8)9/h3-4H,1-2H2
• InChI Key: UYFISINJOLGYBJ-UHFFFAOYSA-N
• Exact Mass: 190.02530670
• Molecular Formula: C5H6F4O3
• Molecular Weight: 190.09
• SMILES: C(C(F)F)OC(=O)OCC(F)F
• Topological: 35.5
• Monoisotopic Mass: 190.02530670
• Synonyms: bis(2,2-difluoroethyl) carbonate, 916678-16-5, 820-667-9, Ethanol, 2,2-difluoro-, 1,1′-carbonate, bis(2,2-difluoroethyl)carbonate, MFCD28334287, SCHEMBL320430, UYFISINJOLGYBJ-UHFFFAOYSA-N, RLB67816, CS-0457942, EN300-152257, G32148

Application

Bis(2,2-difluoroethyl) carbonate is primarily used as a fluorinated carbonate ester in lithium-ion battery electrolyte formulations to enhance thermal stability and SEI layer formation. In pharmaceutical research, it serves as a protected difluoroethanol equivalent for prodrug synthesis. The compound also finds application as a monomer precursor for fluorinated polycarbonates with improved dielectric properties for electronic materials.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.