Description

Tris(2,2,2-trifluoroethyl)orthoformate (CAS No. 58244-27-2) is a high-purity fluorinated orthoester compound with the molecular formula C₇H₇F₉O₃. This specialty chemical is characterized by its three 2,2,2-trifluoroethoxy groups bonded to a central methoxy carbon, delivering exceptional thermal stability and electrochemical compatibility. With an IUPAC name of 2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane, it appears as a colorless to pale yellow liquid (technical grade may show slight turbidity) that should be stored under inert atmosphere due to moisture sensitivity. Offered in standard packaging options from 100mL sealed ampoules to 20L stainless steel drums, each batch is accompanied by comprehensive analytical documentation including GC-MS purity reports (typically ≥98%), ¹H/¹⁹F NMR spectra, and residual solvent analysis. Particularly valuable for advanced battery research, this product undergoes rigorous quality control to meet the demands of fluorine chemistry applications.

Properties

• CAS Number: 58244-27-2
• Complexity: 213
• IUPAC Name: 2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoro-ethane
• InChI: InChI=1S/C7H7F9O3/c8-5(9,10)1-17-4(18-2-6(11,12)13)19-3-7(14,15)16/h4H,1-3H2
• InChI Key: IESBVSNCDNHMSL-UHFFFAOYSA-N
• Exact Mass: 310.02514754
• Molecular Formula: C7H7F9O3
• Molecular Weight: 310.11
• SMILES: C(C(F)(F)F)OC(OCC(F)(F)F)OCC(F)(F)F
• Topological: 27.7
• Monoisotopic Mass: 310.02514754
• Synonyms: Tris(2,2,2-trifluoroethyl)orthoformate, 674-864-8, 58244-27-2, TRIS[(TRIFLUOROETHOXY)METHANE], 2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane, tris(2,2,2-trifluoroethoxy)methane, MFCD04973415, tris(Trifluoroethoxy)methane, C7H7F9O3, SCHEMBL20746309, DTXSID30395037, IESBVSNCDNHMSL-UHFFFAOYSA-N, 2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoro-ethane, AKOS025310044, AS-47846, SY238417, Tris(2,?2,?2-?trifluoroethyl)?orthoformate, F16353

Application

This fluorinated orthoformate derivative serves as a multifunctional electrolyte additive for next-generation lithium-ion batteries, where its decomposition at anode interfaces forms stable fluorine-rich SEI layers that improve cycle life. The compound’s high oxidation stability (>5V vs Li/Li⁺) and flame-retardant properties make it particularly valuable for high-voltage battery systems containing nickel-rich cathodes. Research indicates synergistic effects when combined with fluorinated carbonate solvents, enhancing both ionic conductivity and thermal safety margins. Recent studies have demonstrated its efficacy in suppressing lithium dendrite formation in metal anode configurations. Industrial applications extend to specialty fluorination reactions where it acts as a trifluoroethylation reagent under mild conditions.

Safety and Hazards

GHS Hazard Statements

• H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (33.3%): 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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (66.7%)
• Acute Tox. 4 (33.3%)
• Acute Tox. 4 (33.3%)
• Skin Irrit. 2 (66.7%)
• Eye Irrit. 2 (66.7%)
• Acute Tox. 4 (33.3%)
• STOT SE 3 (33.3%)

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