Atomfair Tris(1,1,1,3,3,3-hexafluoro-2-propyl) Phosphate C9H3F18O4P CAS 66489-68-7

Description

Tris(1,1,1,3,3,3-hexafluoro-2-propyl) Phosphate (CAS No. 66489-68-7) is a highly fluorinated organophosphate compound with the molecular formula C₉H₃F₁₈O₄P. This specialty chemical is characterized by its exceptional thermal stability and flame-retardant properties, making it a valuable additive in advanced material science and energy storage applications. Its IUPAC name, tris(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphate, reflects its symmetrical triester structure with hexafluoroisopropanol moieties. The compound’s high fluorine content contributes to its effectiveness as a flame suppressant while maintaining compatibility with polymeric matrices. Available with >95% purity (GC), it is supplied in sealed containers under inert gas to prevent moisture absorption. Technical data sheets include detailed FTIR, NMR, and GC-MS characterization for quality assurance.

Properties

• CAS Number: 66489-68-7
• Complexity: 533
• IUPAC Name: tris[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] phosphate
• InChI: InChI=1S/C9H3F18O4P/c10-4(11,12)1(5(13,14)15)29-32(28,30-2(6(16,17)18)7(19,20)21)31-3(8(22,23)24)9(25,26)27/h1-3H
• InChI Key: QLCATRCPAOPBOP-UHFFFAOYSA-N
• Exact Mass: 547.9481525
• Molecular Formula: C9H3F18O4P
• Molecular Weight: 548.06
• SMILES: C(C(F)(F)F)(C(F)(F)F)OP(=O)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
• Topological: 44.8
• Monoisotopic Mass: 547.9481525
• Synonyms: 66489-68-7, Tris(1,1,1,3,3,3-hexafluoro-2-propyl) Phosphate, Tris(1,1,1,3,3,3-hexafluoroisopropyl) phosphate, tris(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphate, MFCD28137355, SCHEMBL2992863, tri(hexafluoroisopropyl)phosphate, QLCATRCPAOPBOP-UHFFFAOYSA-N, Tris(hexafluoroisopropyl) phosphate, Phosphoric Acid Tris(1,1,1,3,3,3-hexafluoro-2-propyl) Ester, SY055403, CS-0454729, T3041, T72802, tris(1,1,1,3,3,3-hexafluoro-2-propyl)phosphate, Tris(1,1,1,3,3,3-hexafluoroisopropyl)?phosphate

Application

This fluorinated phosphate ester serves as a high-performance flame retardant in lithium-ion battery electrolytes, where it suppresses thermal runaway by forming protective char layers. Its application extends to specialty polymers and coatings requiring UL94 V-0 compliance without compromising dielectric properties. Researchers also employ it as a fluorine-rich precursor for synthesizing advanced flame-retardant additives with reduced environmental persistence compared to brominated alternatives.

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