13779-41-4

Basic information

• Product Name: DIFLUOROPHOSPHORIC ACID
• Synonyms: Phosphorodifiuoridic acid;difluorophosphoric;fluophosphoricacid;fluophosphoricacid(f2(ho)po);phosphonodifluoridicacid;Phosphorodifluoridic acid;phosphorodifluoridicacid;DIFLUOROPHOSPHORIC ACID
• CAS NO: 13779-41-4
• Molecular Formula: F₂HO₂P
• Molecular Weight: 101.98
• EINECS: 237-421-6
• Product Categories: inorganic acid
• Mol File: 13779-41-4.mol
• Article Data: 4

Chemical Properties

• Melting Point: -75 °C
• Boiling Point: 115,9°C
• Flash Point: °C
• Appearance: yellow fuming/liquid
• Density: 1,583 g/cm3
• PKA: -0.11±0.50(Predicted)
• CAS DataBase Reference: DIFLUOROPHOSPHORIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: DIFLUOROPHOSPHORIC ACID(13779-41-4)
• EPA Substance Registry System: DIFLUOROPHOSPHORIC ACID(13779-41-4)

Safety Data

• Hazard Codes: C
• Statements: 20/21/22-35
• Safety Statements: 26-27-36/37/39-45
• RIDADR: 3264
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 13779-41-4(Hazardous Substances Data)

Usage

Chemical Properties

mobile, colorless liquid; fumes in air [KIR78]

General Description

A mobile colorless strongly fuming liquid. Density 1.583 g / cm3. Corrosive to glass, fabric, metals and tissue.

Air & Water Reactions

Fumes in air. Reacts vigorously with water to form corrosive and toxic hydrofluoric acid and heat.

Reactivity Profile

DIFLUOROPHOSPHORIC ACID reacts exothermically with chemical bases (examples: amines, amides, and inorganic hydroxides). These reactions can generate dangerously large amounts of heat in small spaces. Reacts vigorously with water to form corrosive and toxic hydrofluoric acid and heat. Reacts with active metals, including such structural metals as aluminum and iron, to release hydrogen, a flammable gas. Can initiate the polymerization of certain alkenes. Reacts with cyanide compounds to release gaseous hydrogen cyanide. Generates flammable and/or toxic gases in contact with dithiocarbamates, isocyanates, mercaptans, nitrides, nitriles, sulfides, and strong reducing agents. Additional gas-generating reactions occur with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), and carbonates. May catalyze (increase the rate of) chemical reactions.

Health Hazard

Inhalation causes severe irritation of upper respiratory tract. Contact with liquid causes severe irritation of eyes and skin. Ingestion causes severe burns of mouth and stomach.

Fire Hazard

Special Hazards of Combustion Products: Irritating and toxic fumes of hydrogen fluoride and phosphoric acid may be formed in fires.

Safety Profile

Toxic and corrosive material. Very irritating to the skin, eyes, and mucous membranes. When heated to decomposition it emits very toxic fumes of POx and F-. Used as a catalyst. See also PHOSPHORODIFLUORIDIC ACID, anhydrous.

InChI:InChI=1/F2HO2P.K/c1-5(2,3)4;/h(H,3,4);/q;+1/p-1

Upstream product

• 86119-84-8 phosphoric acid 
• 7664-39-3 hydrogen fluoride 
• 7697-37-2 nitric acid 
• 7647-19-0 phosphorus pentafluoride 
• 10544-72-6 dinitrogen tetraoxide 
• 13498-14-1 pyrophosphoryl chloride 
• 7647-01-0 hydrogenchloride 
• 95464-87-2 silver difluorophosphinato 
• 13478-20-1 trifluorophosphoric acid 
• 16752-60-6 phosphorus pentoxide 
• 96-49-1 [1,3]-dioxolan-2-one 
• 21324-40-3 lithium hexafluorophosphate 
• 7647-19-0 phosphorus pentafluoride 
• 7732-18-5 water 

Downstream Products

• 1499-17-8 o-phenylene chlorophosphate 
• 14456-60-1 difluorophosphoric acid anhydride 
• 13769-75-0 phosphorus oxydifluorochloride 
• 13537-32-1 fluorophosphoric acid 
• 13478-20-1 trifluorophosphoric acid 
• 13776-58-4 xenon trioxide 
• 7664-39-3 hydrogen fluoride 

Relevant articles and documents

Tuning the dissociation of the Fe-PPh2(OR) bond in chiral-at-metal complexes [CpFe(Prophos)PPh2(OR)]PF6 (R = Me, Et, i Pr, t Bu). the preparative trick of N2 Bubbling

The compounds (RFe,RC)-/(SFe,R C)-[CpFe(Prophos)PPh(OMe)2]PF6 and (R Fe,RC)-/(SFe,RC)-[CpFe(Prophos) PPh2(OR)]PF6 (R = Me, Et, iPr, tBu) were synthesized, starting from (RFe,RC)-/(SFe,R C)-[CpFe(Prophos)NCMe]PF6, and characterized, including X-ray analyses. Bubbling a stream of N2 through the solution speeded up the slow substitution reactions by removing the acetonitrile formed in the rate-determining cleavage of the Fe-NCMe bond. Due to their acceptor ligands P(OMe)3 and PPh(OMe)2 the complexes [CpFe(Prophos)P(OMe) 3]PF6 and [CpFe(Prophos)PPh(OMe)2]PF 6 are configurationally stable at the metal atom. In contrast, [CpFe(Prophos)PPh3]PF6 does not form, due to the large cone angle of the ligand PPh3. Ideally, the electronic and steric effects of the ligands PPh2(OR) (R = Me, Et, iPr, tBu) are such that they tend to dissociate from the congested complexes (RFe,R C)- and (SFe,RC)-[CpFe(Prophos)PPh 2(OR)]PF6. In the series (RFe,RC)- and (SFe,RC)-[CpFe(Prophos)PPh2(OR)]PF 6, (R = Me, Et, iPr, tBu) electron donation and the cone angle of the ligands increase. Thus, the rates of the ligand exchange with P(OMe) 3 increased, initiated by the slow dissociation of the Fe-PPh 2(OR) bond. For the RFe,RC/S Fe,RC diastereomers of [CpFe(Prophos)PPh 2(OR)]PF6 the half-lives of the first-order reactions were 125/350 h (R = Me), 75/275 h (R = Et), and 12/34 h (R = iPr) in CDCl 3 at 60 C.

Thermal decomposition of LiPF6-based electrolytes for lithium-ion batteries

The thermal decomposition of lithium-ion battery electrolytes 1.0 M LiPF6 in one or more carbonate solvents has been investigated. Electrolytes containing diethyl carbonate (DEC), ethylene carbonate (EC), a 1:1 mixture of EC/dimethyl carbonate (DMC), and a 1:1:1 mixture EC/DMC/DEC have been investigated by multinuclear nuclear magnetic spectroscopy, gas chromatography with mass selective detection, and size exclusion chromatography. Thermal decomposition affords products including: carbon dioxide (CO 2), ethylene (CH2CH2), dialkylethers (R 2O), alkyl fluorides (RF), phosphorus oxyfiuoride (OPF3), fluorophosphates [OPF2OR, OPF(OR)2], fluorophosporic acids [OPF2OH, OPF(OH)2], and oligoethylene oxides. The mechanism of decomposition is similar in all LiPF6/carbonate electrolytes. Trace protic impurities lead to generation of OPF2OR, which autocatalytically decomposes LiPF6 and carbonates. The presence of DEC leads to the generation of ethylene, while the presnce of EC leads to the generation of capped oligothylene oxides [OPF2(OCH 2CH2)nF].