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Octachlorotetraphosphazene

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Octachlorotetraphosphazene
Octachlorotetraphosphazene structure (ball-and-stick)
Octachlorotetraphosphazene structure (ball-and-stick)
Names
IUPAC name 2,2,4,4,6,6,8,8-Octachloro-1,3,5,7,2λ,4λ,6λ,8λ-tetrazatetraphosphocine
Other names Phosphonitrilic chloride tetramer
Octachlorocyclotetraphosphazene
Tetraphosphonitrilic chloride
2,2,4,4,6,6,8,8-octachloro-2,2,4,4,6,6,8,8-octahydro-1,3,5,7,2,4,6,8-tetraazatetraphosphocine
2,2,4,4,6,6,8,8-octachloro-1,3,5,7-tetraza-2λ,4λ,6λ,8λ-tetraphosphacycloocta-1,3,5,7-tetraene
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
EC Number
  • 220-972-1
PubChem CID
CompTox Dashboard (EPA)
InChI
  • InChI=1S/Cl8N4P4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13Key: PEJQKHLWXHKKGS-UHFFFAOYSA-N
SMILES
  • N1=P(N=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl
Properties
Chemical formula N4Cl8P4
Molar mass 463.55 g/mol
Appearance Colorless solid
Density 2.27 g/mL at -173 °C
Melting point 123 to 124 °C (253 to 255 °F; 396 to 397 K)
Boiling point 188 °C at 15 Torr
Solubility in water Decomposes
Solubility in hexane 7.0 g/100g (20 °C)
Solubility in toluene 1.8 g/100g (20 °C)
Solubility in CCl4 1.6 g/100g (20 °C)
Refractive index (nD) 1.675 (589 nm)
Structure
Crystal structure Tetragonal
Space group 86
Point group D4h
Dipole moment 0.39 D
Thermochemistry
Std enthalpy of
formation (ΔfH298) 		-1084.9 kJ·mol
Enthalpy of vaporization (ΔfHvap) 64.9 kJ·mol (325 °C)
Enthalpy of sublimation (ΔfHsublim) 95.9–97.5 kJ·mol
Hazards
Occupational safety and health (OHS/OSH):
Main hazards Mild irritant
GHS labelling:
Pictograms GHS05: Corrosive
Signal word Danger
Hazard statements H314
Precautionary statements P260, P280, P304+P340, P305+P351+P338, P363
Flash point Non-flammable
Related compounds
Related compounds Hexachlorophosphazene
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound

Octachlorotetraphosphazene is an inorganic compound with the formula (NPCl2)4. The molecule has a cyclic, unsaturated backbone consisting of alternating phosphorus and nitrogen centers, and can be viewed as a tetramer of the hypothetical compound N≡PCl2.

The compound has not been studied as much as the related species hexachlorotriphosphazene, in the samples of which octachlorotetraphosphazene is usually found as an unwanted contamintant.

Structure and bonding

Octachlorotetraphosphazene has a P4N4 core with six equivalent P–N bonds.

Synthesis

NH4Cl + PCl5 → 1/n (NPCl2)n + HCl

Reactions

Substitution at P

Some spiro-, ansa-, and spiro-ansa-cyclic derivatives have been prepared via nucleophilic substitution of octachlorotetraphosphazene with alkoxides.

References

  1. Allcock, H. R. (1972). Phosphorus-nitrogen compounds ; cyclic, linear, and high polymeric systems. New York: Academic Press. ISBN 978-0-323-14751-4. OCLC 838102247.
  2. Greenwood, Norman N.; Earnshaw, Alan (1997). Chemistry of the Elements (2nd ed.). Butterworth-Heinemann. ISBN 978-0-08-037941-8.
  3. Ture, Sedat (2016-01-02). "Synthesis and characterization of spiro-, ansa-, and spiro-ansa-cyclic derivatives of cyclotetraphosphazene with the reactions of pentane-1,5-diol". Phosphorus, Sulfur, and Silicon and the Related Elements. 191 (1): 129–139. doi:10.1080/10426507.2015.1054483.
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