Thiophosphoryl difluoride monochloride

Base Information

• Chemical Name: Thiophosphoryl difluoride monochloride
• CAS No.: 2524-02-9
• Molecular Formula: ClF2PS
• Molecular Weight: 136.49
• DSSTox Substance ID: DTXSID50179896
• Nikkaji Number: J95.153F
• Wikipedia: Phosphorothioic_chloride_difluoride
• Wikidata: Q48995737
• Mol file: 2524-02-9.mol

Synonyms:Thiophosphoryl difluorochloride;Thiophosphoryl difluoride monochloride;Thiophosphoryl chlorodifluoride;2524-02-9;Thiophosphoryl monochlorodifluoride;TL 152;Phosphine sulfide, monochlorodifluoro-;DTXSID50179896;Thiophosphoryl chloride difluoride;TL-152;LS-153241

Chemical Property of Thiophosphoryl difluoride monochloride

Chemical Property:

• Melting Point: -155°C
• Boiling Point: 6.3°C
• PSA: 41.90000
• Density: 1.647g/cm³
• LogP: 3.03930
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 135.9114922
• Heavy Atom Count: 5
• Complexity: 64

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Low toxicity by inhalation.
• Hazard Codes: Low toxicity by inhalation.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: FP(=S)(F)Cl

Technology Process of Thiophosphoryl difluoride monochloride

There total 7 articles about Thiophosphoryl difluoride monochloride 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: 28.0%

{bis(trifluoromethyl)thiophosphoryl}thio-difluorophosphine (52226-02-5) → chlorodifluorophosphine (14335-40-1) + thiophosphoryl chloride difluoroide (2524-02-9) + Bis(trifluormethyl)-thiophosphinsaeurechlorid (18799-82-1) + bis{bis(trifluoromethyl)phosphoryl}disulfane (32026-93-0)

Guidance literature:

With chlorine; at room temp., 1 d;

Reference yield: 25.0%

(difluorothiophosphoryl)thio-bis(trifluoromethyl)phosphine (52226-01-4) → thiophosphoryl chloride difluoroide (2524-02-9) + (S2PF2)2 (15538-60-0) + bis(trifluoromethyl)chlorophosphine (650-52-2) + bis(trifluoromethyl)trichlorophosphorane (353-77-5)

Guidance literature:

With chlorine; at room temp.;

Reference yield:

trichlorothiophosphine (3982-91-0) + potassium fluorosulphinate (14986-57-3) → thiophosphoryl fluoride (2404-52-6) + thiophosphoryl chloride difluoroide (2524-02-9) + sulfur dioxide (7446-09-5,12143-17-8,89125-89-3)

Guidance literature:

In neat (no solvent); refluxing PSCl3 with KSO2F in an atmosphere of N2; formation of two layers in the freezing trap;; the upper layer contains PSF3 and a small amount of PSF2Cl, the other SO2; isolation on distg. at ambient pressure in an atmosphere of N2, use of liquid air and dry ice as cooling agent;;

upstream raw materials:

trichlorothiophosphine

antimony(III) fluoride

potassium fluorosulphinate

(difluorothiophosphoryl)thio-bis(trifluoromethyl)phosphine

Refernces

• 1、 Doty, Leon F.,Cavell, Ronald G.. "Mixed-valence derivatives of phosphorus sulfides. Two new isomeric thiophosphoryl-μ-thio-phosphines containing fluorine and trifluoromethyl substituents and a discussion of their exchange properties". . p. 2722 - 2729. Retrieved 2007/10/14.