Phosphoryl fluoride

Base Information

• Chemical Name: Phosphoryl fluoride
• CAS No.: 13478-20-1
• Molecular Formula: F3O P
• Molecular Weight: 103.968
• European Community (EC) Number: 236-776-4
• UNII: J2907TX5WS
• DSSTox Substance ID: DTXSID1065504
• Nikkaji Number: J95.150A
• Wikipedia: Phosphoryl fluoride
• Wikidata: Q4351241
• Mol file: 13478-20-1.mol

Synonyms:Phosphoryl fluoride;13478-20-1;Phosphoric trifluoride;Phosphoryl trifluoride;Phosphorus oxyfluoride;Phosphoryl oxyfluoride;Trifluorophosphine oxide;Trifluorophosphorus oxide;UNII-J2907TX5WS;J2907TX5WS;EINECS 236-776-4;PHOSPHORYLFLUORIDE;Phosphoric trifluoride #;Phosphorus Oxytrifluoride;F3OP;POF3;F3-O-P;DTXSID1065504;PHOSPHORUS TRIFLUORIDE OXIDE;MFCD00799806;PHOSPHORUS OXYFLUORIDE (POF3);PHOSPHORUS FLUORIDE OXIDE (PF3O);PHOSPHORUS FLUORIDE OXIDE (POF3);Q4351241

Chemical Property of Phosphoryl fluoride

Chemical Property:

• Vapor Pressure: 6630mmHg at 25°C
• Melting Point: -39.1℃ [KIR78]
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 26.88000
• Density: 1.506g/cm³
• LogP: 2.00300
• Water Solubility.: hydrolyzes [KIR78]
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 103.96388610
• Heavy Atom Count: 5
• Complexity: 53

Purity/Quality:

98%Min ^*data from raw suppliers

PHOSPHORYL FLUORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 14-34-36/37/38
• Safety Statements: 7/9-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: O=P(F)(F)F

Technology Process of Phosphoryl fluoride

There total 154 articles about Phosphoryl fluoride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

calcium fluoride + phosphorus pentoxide + sodium chloride (7647-14-5) → trifluorophosphoric acid (13478-20-1) + phosphoryl dichloride fluoride (13769-76-1) + phosphorus oxydifluorochloride (13769-75-0) + trifluorophosphane (7783-55-3) + trichlorophosphate (10025-87-3,12599-09-6,63736-95-8,39380-77-3)

Guidance literature:

In neat (no solvent); heating with CaF2 in presence of NaCl;;

Reference yield:

calcium fluoride + phosphorus pentoxide + sodium chloride (7647-14-5) → trifluorophosphoric acid (13478-20-1) + trichlorophosphate (10025-87-3,12599-09-6,63736-95-8,39380-77-3)

Guidance literature:

In neat (no solvent); react. at 350-600 °C, temp. depending on mass ratio of components; formation of POF3 above 500 °C;;

Reference yield:

nitrosylchloride (2696-92-6) + trifluorophosphane (7783-55-3) → nitrogen trichloride (10025-85-1) + trifluorophosphoric acid (13478-20-1)

Guidance literature:

In neat (no solvent); byproducts: N2; condensing PF3 and NOCl in evacuated trap, -196°C; allowing to attain room temp.; reacting at 25, 65 or 88°C, 1-2 d; detn. by IR;

upstream raw materials:

selenium(IV) fluoride

difluoroether

silver(I) hexafluorophosphate

sodium fluoride

Downstream raw materials:

phosphan

difluorophosphoric acid

tetramethylammonium hexafluorophosphate

phosphorus pentafluoride

Refernces

• 1、 Kokunov,Ershova,Razgonyaeva. "NMR study of the interaction of tin(II) and antimony(III) fluorides with phosphorus chlorides". . p. 461 - 463. Retrieved 2002.
• 2、 Burg et al.. "". . p. 247. Retrieved 1957.
• 3、 Larsen, E. M.,Howatsen, J.,Gammil, A. M.,Wittenberg, L.. "". . p. 3489 - 3492. Retrieved 1952.
• 4、 Kodama, G.,Parry, R. W.. "". . p. 125 - 129. Retrieved 1961.
• 5、 Schneider, Stefan,Vij, Ashwani,Sheehy, Jeffrey A.,Tham, Fook S.,Schroer, Thorsten,Christe, Karl O.. "In pursuit of the PO2+ cation. The reaction of KPO2F2 and SbF5 leads to an eight-membered antimony-oxygen-phosphorus-bridged ring". . p. 631 - 637. Retrieved 2001.
• 6、 Hayek, E.,Aignesberger, A.,Engelbrecht, A.. "". . . Retrieved 1955.
• 7、 Wilken, Susanne,Treskow, Marcel,Scheers, Johan,Johansson, Patrik,Jacobsson, Per. "Initial stages of thermal decomposition of LiPF6-based lithium ion battery electrolytes by detailed Raman and NMR spectroscopy". . p. 16359 - 16364. Retrieved 2013.
• 8、 Prideaux, E. B.,Cox, C. B.. "". . . Retrieved 1928.
• 9、 Funaioli, Tiziana,Marchetti, Fabio,Pampaloni, Guido,Zacchini, Stefano. "Ligand-interchange reactions between M(iv) (M = Ti, V) oxide bis-acetylacetonates and halides of high-valent group 4 and 5 metals. A synthetic and electrochemical study". . p. 14168 - 14177. Retrieved 2013/10/01.