| Identification | Back Directory | [Name]
HEXAFLUOROCYCLOTRIPHOSPHAZENE | [CAS]
15599-91-4 | [Synonyms]
AURORA KA-1097
HEXAFLUOROCYCLOTRIPH
HEXAFLUOROCYCLOTRIPHO
Phosphonitrilefluoridetrimer
HEXAFLUOROCYCLOTRIPHOSPHAZENE
PHOSPHONITRILIC FLUORIDE TRIMER
Hexafluorocyclotriphosphazene>
tris(phosphorusnitridedifluoride)
1,3,5,2,4,6-Triazatriphosphorine, hexafluoro-
1,3,5-TRIAZA-2,4,6-TRIPHOSPHORIN-2,2,4,4,6,6-HEXAFLUORIDE
1,2,3,4,4,6-hexafluoro-1,2,3,6-tetrahydro-1,3,5,2,4,6-triazatriphosphinine
1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexafluoro-2,2,4,4,6,6,-hexahydro-
1,3,5-Triaza-2,4,6-triphosphorin-2,2,4,4,6,6-hexafluoride, Hexafluorocyclotriphosphazene | [Molecular Formula]
F6N3P3 | [MDL Number]
MFCD00192400 | [MOL File]
15599-91-4.mol | [Molecular Weight]
248.93 |
| Chemical Properties | Back Directory | [Melting point ]
25-30 °C(lit.)
| [Boiling point ]
50.9 °C(lit.)
| [density ]
2.237 g/cm3 (20 ºC ) | [refractive index ]
1.3183 (589.3 nm 32℃) | [storage temp. ]
2-8°C
| [solubility ]
soluble in Toluene | [form ]
powder to lump | [pka]
-27.34±0.27(Predicted) | [color ]
White to Almost white | [InChI]
InChI=1S/F6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10 | [InChIKey]
DKQPXAWBVGCNHG-UHFFFAOYSA-N | [SMILES]
N1=P(F)(F)N=P(F)(F)N=P1(F)F |
| Hazard Information | Back Directory | [Uses]
Hexafluorocyclotriphosphazene is an intermediate for organic materials, which can be used as a raw material for the synthesis of other components or electronic materials, and can be used in the preparation of spiro ethers and flame retardant additives for lithium ion batteries. | [Application]
Hexafluorocyclotriphosphazene (HFPN) is a flame retardant used in lithium-ion batteries (LIBs) to decrease the fire risk during the treatment of electrolyte. HFPN has three flame retardant elements as N, P and F, which can release free radicals in the combustion process to capture free radicals H· and HO· released by electrolyte, thereby preventing the chain reaction of hydrocarbon combustion or explosion[1]. | [Synthesis]
Hexafluorocyclotriphosphazene is prepared by the reaction of potassium fluoride and 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine. The steps are as follows:
Put 104.3g of hexachlorocyclotriphosphazene, 113.3g of potassium fluoride, 0.011g of ionic liquid catalyst [Nbmm]OH, and 217.6g of anhydrous acetonitrile in an electric stirrer, thermometer, In the flask with reflux condenser, the reaction was carried out at 30°C, and the reaction was closed after 2h, filtered, The filtrate was rectified to obtain hexafluorocyclotriphosphazene with a yield of 98.7%.
 | [References]
[1] Liu, C., Zhao, Y., Qiao, S., Zheng, K., Wang, Y., Sun, Z., Liang, T., Fan, C., Zhou, T., & Huang, Q. (2024). Effect of flame retardant hexafluorocyclotriphosphazene on combustion characteristics of electrolyte for lithium-ion batteries. Case Studies in Thermal Engineering, 58, Article 104383. https://doi.org/10.1016/j.csite.2024.104383
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