Hexafluorophosphazene

Hexafluorophosphazene is an inorganic compound with the formula (NPF₂)₃. It takes the form of a white powder or lumps. It is sensitive to moisture and heat.^[1]

Hexafluorophosphazene

Names
IUPAC name 2,2,4,4,6,6-Hexafluoro-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinine
Other names Phosphonitrilic fluoride trimer Hexafluorotriphosphazene Hexafluorocyclotriphosphazene Triphosphonitrilic fluoride 2,2,4,4,6,6-Hexafluoro-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine
Identifiers
CAS Number	15599-91-4 N[ECHA]
3D model (JSmol)	Interactive image
ChemSpider	123428
ECHA InfoCard	100.150.019
EC Number	621-138-3
PubChem CID	139958
CompTox Dashboard (EPA)	DTXSID40166013
InChI InChI=1S/F6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10 Key: DKQPXAWBVGCNHG-UHFFFAOYSA-N InChI=1/F6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10
SMILES N1=P(N=P(N=P1(F)F)(F)F)(F)F
Properties
Chemical formula	(NPF2)3
Molar mass	248.933 g·mol−1
Appearance	White powder or lumps[1]
Melting point	27 °C (81 °F; 300 K)
Boiling point	51 °C (124 °F; 324 K)
Solubility in water	decomposes
Solubility	Toluene[1]
Structure
Molecular shape	Planar P3N3 ring
Dipole moment	0 D
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Corrosive
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H314
Precautionary statements	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340+P310, P305+P351+P338+P310, P363, P405, P501
Related compounds
Related compounds	Hexachlorophosphazene Polyphosphazene Trithiazyl trichloride Tetrasulfur tetranitride Polythiazyl Benzene Borazine
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Structure

The molecule has a cyclic, unsaturated P₃N₃ backbone consisting of alternating phosphorus and nitrogen atoms, and can be viewed as a trimer of the hypothetical compound N≡PF₂ (phosphazyl difluoride). Its classification as a phosphazene highlights its relationship to benzene. Hexafluorophosphazene has a hexagonal P₃N₃ ring with six equivalent P–N bonds. Each phosphorus atom is additionally bonded to two fluorine atoms.^[2]

The molecule possesses D_3h symmetry, and each phosphorus center is tetrahedral.

The P₃N₃ ring in hexachlorophosphazene deviates from planarity and is slightly ruffled (see chair conformation). By contrast, the P₃N₃ ring in hexafluorophosphazene is completely planar.^[3]