7647-19-0

Basic information

• Product Name: PHOSPHORUS PENTAFLUORIDE
• Synonyms: fluoride,penta-phosphoru;pentafluoro-phosphoran;Pentafluorophosphorane;pentafluoro-Phosphorane;pentafluorophosphorus;PF5;Phosphorane, pentafluoro-;phosphorane,pentafluoro-
• CAS NO: 7647-19-0
• Molecular Formula: F5P
• Molecular Weight: 125.97
• EINECS: 231-602-3
• Product Categories: Inorganic Fluorides
• Mol File: 7647-19-0.mol
• Article Data: 29

Chemical Properties

• Melting Point: -83°C
• Boiling Point: -75°C
• Flash Point: -84.6°C
• Appearance: Colorless/Gas
• Density: 5.805g/l
• Water Solubility: hydrolyzed in H2O, eventually to H3PO4 [MER06]
• Sensitive: Moisture Sensitive
• Merck: 14,7352
• CAS DataBase Reference: PHOSPHORUS PENTAFLUORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: PHOSPHORUS PENTAFLUORIDE(7647-19-0)
• EPA Substance Registry System: PHOSPHORUS PENTAFLUORIDE(7647-19-0)

Safety Data

• Hazard Codes: C,T
• Statements: 23-32-34
• Safety Statements: 3/7-9-38-45
• RIDADR: 2198
• RTECS: TH4070000
• TSCA: Yes
• HazardClass: 2.3
• Hazardous Substances Data: 7647-19-0(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 7647-19-0 differently. You can refer to the following data:
1. Phosphorus pentafluoride is a catalyst in ionic polymerization reactions.
2. Phosphorus pentafluoride is usedas a catalyst in polymerization reactions.
3. Catalyst in ionic polymerization reactions.

Preparation

Phosphorus pentafluoride may be prepared by several methods, among which are: Treating phosphorus trifluoride with bromine and then heating the product phosphorus trifluoride dibromide, PF3Br2: PF3 + Br2 → PF3Br2 5PF3Br2 → 3PF5 + 2PBr5 Heating phosphorus pentachloride with arsenic trifluoride: PCl5 + 5AsF3 → 3PF5 + 5AsCl3 Subjecting phosphorus trifluoride to an electric spark in the absence of air (a disproportion reaction occurs): 5PF3 → 3PF5 + 2P (in the presence of air, the product is phosphorus oxyfluoride, POF3) Heating a mixture of phosphorus pentoxide and calcium fluoride: P2O5 + 5CaF2 → 2PF5 + 5CaO Heating a mixture of phosphorus oxyfluoride, hydrogen fluoride and sulfur trioxide: POF3 + 2HF + SO3 → PF5 + H2SO4 The gas should be stored in steel cylinders in the absence of moisture.

Chemical Properties

colorless gas; nonflammable; fumes strongly in air; high thermal stability; critical temp 144.5°C; critical pressure 3.39MPa; enthalpy of fusion 12.1 kJ/mol; enthalpy of vaporization 17.2 kJ/mol; can be prepared by reaction of PF3 with F2; used as a polymerization catalyst and in electronics industry [AIR87] [HAW93] [MER06] [CRC10] [KIR78]

Physical properties

Colorless gas; fumes in air; density 5.527g/L; heavier than air, density in air 4.35 (air=1); liquefies at -84.6°C; freezes at -93.8°C; reacts with water.

General Description

PHOSPHORUS PENTAFLUORIDE is a colorless, poisonous, nonflammable, compressed gas with a pungent odor. PHOSPHORUS PENTAFLUORIDE is extremely irritating to skin, eyes and mucus membranes. PHOSPHORUS PENTAFLUORIDE is very toxic by inhalation and can cause pulmonary edema. Toxic and corrosive fumes are generated when PHOSPHORUS PENTAFLUORIDE is exposed to water or steam. Prolonged exposure of the containers to fire or heat may result in their violent rupturing and rocketing. PHOSPHORUS PENTAFLUORIDE is used as a polymerization catalyst.

Air & Water Reactions

Fumes strongly in air, with traces of moisture forming POF3 and HF (corrosive). Decomposed in water or moist air to form phosphoric acid and hydrofluoric Acid, corrosive [Merck 11th ed. 1989].

Reactivity Profile

PHOSPHORUS PENTAFLUORIDE is a colorless, toxic gas, when exposed to air PHOSPHORUS PENTAFLUORIDE strongly fumes. Vigorous reaction with water or steam leads to decomposition (hydrolysis) producing toxic and corrosive fumes. When heated to decomposition PHOSPHORUS PENTAFLUORIDE emits toxic fumes of fluoride and oxides of phosphorus [Lewis, 3rd ed., 1993, p. 1034].

Hazard

Phosphorus pentafluoride is a highly toxic gas. Inhalation can cause severe irritation of mucous membrane and pulmonary edema. It is corrosive to skin and can damage eyes.

Health Hazard

Different sources of media describe the Health Hazard of 7647-19-0 differently. You can refer to the following data:
1. TOXIC; may be fatal if inhaled, ingested or absorbed through skin. Vapors are extremely irritating and corrosive. Contact with gas or liquefied gas may cause burns, severe injury and/or frostbite. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control may cause pollution.
2. Phosphorus pentafluoride is highly irritating to the skin, eyes, and respiratory tract. Exposure to this gas can cause pulmonary edema and lung injury. The LC50 value for this compound is not reported. The concentration in air at which it may be lethal to mice over a 10-minute exposure period is estimated to be about 400 ppm (～2050 mg/m3).

Fire Hazard

Some may burn but none ignite readily. Vapors from liquefied gas are initially heavier than air and spread along ground. Some of these materials may react violently with water. Cylinders exposed to fire may vent and release toxic and/or corrosive gas through pressure relief devices. Containers may explode when heated. Ruptured cylinders may rocket.

Safety Profile

A poisonous gas. Violently irritating to skin, eyes, and - mucous membranes. Inhalation may cause pulmonary edema. Reacts with water or steam to produce toxic and corrosive fumes. When heated to decomposition it emits highly toxic fumes of Fand POx. See also FLUORIDES.

Waste Disposal

Phosphorus pentafluoride is destroyed by bubbling the gas through a solution of caustic soda (in excess) at a cold temperature. The alkaline mixture is neutralized slowly by dilute HCl and washed down the drain.

InChI:InChI=1/5FH.H3P/h5*1H;1H3/q;;;;;+3/p-5

Upstream product

• 7790-91-2 chlorine trifluoride 
• 17084-13-8 potassium hexafluorophosphate 
• 10026-13-8 phosphorus pentachloride 
• 21324-40-3 lithium hexafluorophosphate 
• 105-58-8 Diethyl carbonate 
• 13478-20-1 trifluorophosphoric acid 
• 7664-39-3 hydrogen fluoride 
• 61156-01-2 hydrogen uranyl phosphate 
• 7782-41-4 fluorine 
• 16919-35-0 {PCl₄}⁽¹⁺⁾*{PF₆}^(1-)={PCl₄}{PF₆} 
• 17950-40-2 triethyloxonium hexaflourophosphate 
• 13659-66-0 tetrafluorophosphorane 
• 7783-70-2 antimony pentafluoride 
• 13454-99-4 dichloro-trifluoro-phosphorane 

Downstream Products

• 7783-42-8 thionyl fluoride 
• 26042-63-7 silver(I) hexafluorophosphate 
• 23940-74-1 Tetraphenyl-arsonium-trifluormethyl-pentafluorphosphat 
• 21324-40-3 lithium hexafluorophosphate 
• 7783-55-3 trifluorophosphane 
• 1263569-93-2 chloro-tetrafluoro-phosphorane 
• 7637-07-2 boron trifluoride 
• 13779-41-4 difluorophosphoric acid 
• 7782-41-4 fluorine 
• 86119-84-8 phosphoric acid 
• 13478-20-1 trifluorophosphoric acid 
• 7722-76-1 ammonium dihydrogen phosphate 
• 19200-21-6 nitronium hexafluorophosphate 
• 753-82-2 Ethyl-tetrafluor-phosphoran 

Relevant articles and documents

Thermal reactions of lithiated graphite anode in LiPF6-based electrolyte

The thermal reactions of a lithiated graphite anode with and without 1.3 M lithium hexafluorophosphate (LiPF6) in a solvent mixture of ethylene carbonate (EC) and ethylmethyl carbonate (EMC) were investigated by means of differential scanning calorimetry (DSC). The products of the thermal decomposition occurring on the lithiated graphite anode were characterized by Fourier transform infrared (FT-IR) analysis. The lithiated graphite anode showed two broad exothermic peaks at 270 and 325 °C, respectively, in the absence of electrolyte. It was demonstrated that the first peak could be assigned to the thermal reactions of PF5 with various linear alkyl carbonates in the solid electrolyte interphase (SEI) and that the second peak was closely related to the thermal decomposition of the polyvinylidene fluoride (PVdF) binder. In the presence of electrolyte, the lithiated graphite anode showed the onset of an additional exothermic peak at 90 °C associated with the thermal decomposition reactions of the SEI layer with the organic solvents.

Synthesis and structural investigation of the compounds containing HF2- anions: Ca(HF2)2, Ba4F4(HF2)(PF6)3 and Pb2F2(HF2)(PF6)

Three new compounds Ca(HF2)2, Ba4F4(HF2)(PF6)3 and Pb2F2(HF2)(PF6) were obtained in the system metal(II) fluoride and anhydrous HF (aHF) acidified with excessive PF5. The obtained polymeric solids are slightly soluble in aHF and they crystallize out of their aHF solutions. Ca(HF2)2 was prepared by simply dissolving CaF2 in a neutral aHF. It represents the second known compound with homoleptic HF environment of the central atom besides Ba(H3F4)2. The compounds Ba4F4(HF2)(PF6)3 and Pb2F2(HF2)(PF6) represent two additional examples of the formation of a polymeric zigzag ladder or ribbon composed of metal cation and fluoride anion (MF+)n besides PbF(AsF6), the first isolated compound with such zigzag ladder. The obtained new compounds were characterized by X-ray single crystal diffraction method and partly by Raman spectroscopy. Ba4F4(HF2)(PF6)3 crystallizes in a triclinic space group P1 with a=4.5870(2) A, b=8.8327(3) A, c=11.2489(3) A, α=67.758(9)°, β=84.722(12), γ=78.283(12)°, V=413.00(3) A3 at 200 K, Z=1 and R=0.0588. Pb2F2(HF2)(PF6) at 200 K: space group P1, a=4.5722(19) A, b=4.763(2) A, c=8.818(4) A, α=86.967(10)°, β=76.774(10)°, γ=83.230(12)°, V=185.55(14) A3, Z=1 and R=0.0937. Pb2F2(HF2)(PF6) at 293 K: space group P1, a=4.586(2) A, b=4.781(3) A, c=8.831(5) A, α=87.106(13)°, β=76.830(13)°, γ=83.531(11)°, V=187.27(18) A3, Z=1 and R=0.072. Ca(HF2)2 crystallizes in an orthorhombic Fddd space group with a=5.5709(6) A, b=10.1111(9) A, c=10.5945(10) A, V=596.77(10) A3 at 200 K, Z=8 and R=0.028.

Chloro-free synthesis of LiPF6 using the fluorine-oxygen exchange technique

A hydrogen fluoride-free and chloro?free method for synthesizing LiPF6 was developed. Employing CaF2 as the direct fluorinating reagent instead of hydrogen fluoride made it much safer and more environment-friendly than conventional methods and reduced the metal residues in product owing to the relatively low-acid reaction conditions less corrosive to equipments. The use of P2O5 as phosphorus source instead of traditionally employed PCl5 significantly reduced the chloro residue in product. Ca(H2PO4)2, the only by-product of the process, could be easily converted into Ca3(PO4)2, a best-selling chemical. The above advantages not only reduce the production costs by ca. 20%, but also significantly improve the product purity. The fluorine-oxygen exchange reaction is a completely new technique for LiPF6 production and may bring about technological revolution in the related industry.

[Li(XeF2)n](AF6) (A = P, As, Ru, Ir), the first xenon(II) compounds of lithium. Synthesis, Raman spectrum, and crystal structure of [Li(XeF2)3](AsF6)

The reactions between compounds of the type MAF6 (M = alkali metal; A = P, As, V, Ru, Ir, Sb, Nb, Ta) and xenon difluoride were studied in anhydrous hydrogen fluoride solvent. The coordination products [M(XeF 2)n]AsF6 were only observed in the case of LiAF6 (A = P, As, Ru, Ir), and the crystal structure of [Li(XeF 2)3]AsF6 was determined (monoclinic space group P21 with a = 6.901(9) A, b = 13.19(2) A, c = 6.91(1) A, β = 91.84(2), and Z = 2). The coordination sphere of lithium is comprised of six F atoms. The compound series was also characterized by Raman spectroscopy.

OXYFLUOROPHOSPHATE SYNTHESIS PROCESS AND COMPOUND THEREFROM

An electrolyte compound has the formula where p is an integer from 1 to 3 inclusive; and Yp+ is a metal ion, onium species, or proton; j is an integer value between 0 and 4 inclusive; k is an integer between 1 and 3 inclusive; and the sum 2k and j equals 6; Z is independently in each occurrence CR1R2 or C(O); R1 and R2 are independently in each occurrence H, F or CH3. A process for preparing an oxyfluorophosphate is also provided.