Thiophosphoryl chloride

Base Information

• Chemical Name: Thiophosphoryl chloride
• CAS No.: 3982-91-0
• Molecular Formula: Cl3PS
• Molecular Weight: 169.399
• Hs Code.: 28273985
• European Community (EC) Number: 223-622-6
• ICSC Number: 0581
• NSC Number: 158334
• UN Number: 1837
• UNII: II99F8594N
• DSSTox Substance ID: DTXSID3063253
• Nikkaji Number: J96.077B
• Wikipedia: Thiophosphoryl chloride,Thiophosphoryl_chloride
• Wikidata: Q419792
• Mol file: 3982-91-0.mol

Synonyms:phosphorus thiotrichloride;phosphoryl thiotrichloride;thiophosphoryl chloride

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Chemical Property of Thiophosphoryl chloride

Chemical Property:

• Appearance/Colour: UN 1837 8/PG 2
• Vapor Pressure: 15mmHg at 25°C
• Melting Point: -35 °C
• Refractive Index: n20/D 1.555(lit.)
• Boiling Point: 125 °C at 760 mmHg
• PSA: 41.90000
• Density: 1.789 g/cm³
• LogP: 3.57790
• Sensitive.: moisture sensitive
• Solubility.: benzene: soluble(lit.)
• Water Solubility.: hydrolyzes in H2O, forming H3PO4, HCl, H2S; hydrolyzes rapidly in alkaline solutions; soluble benzene, CCl4, CS2, chloroform [MER06]
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 167.852391
• Heavy Atom Count: 5
• Complexity: 53
• Transport DOT Label: Corrosive

Purity/Quality:

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 22-26-34-52/53
• Safety Statements: 26-28-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Other Toxic Gases & Vapors
• Canonical SMILES: P(=S)(Cl)(Cl)Cl
• Inhalation Risk: A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract. The vapour is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. Inhalation of the vapour may cause lung oedema. If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis. Exposure could cause death. The effects may be delayed. Medical observation is indicated.
• Uses: Thiophosphoryl chloride was used in the synthesis of O-ethyl dichlorothiophosphate.

Technology Process of Thiophosphoryl chloride

There total 96 articles about Thiophosphoryl chloride 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:

thionyl chloride (7719-09-7) + phosphorus → disulfur dichloride (10025-67-9) + trichlorothiophosphine (3982-91-0) + phosphorus pentachloride (10026-13-8,874483-75-7) + sulfur dioxide (7446-09-5,12143-17-8,89125-89-3) + phosphorus trichloride (7719-12-2,52843-90-0)

Guidance literature:

In neat (no solvent); excess of SOCl2; 180°C;;

DOI:10.1021/ja02238a004

Reference yield:

thionyl chloride (7719-09-7) + phosphorus trichloride (7719-12-2,52843-90-0) → trichlorothiophosphine (3982-91-0) + phosphorus pentachloride (10026-13-8,874483-75-7) + trichlorophosphate (10025-87-3,12599-09-6,63736-95-8,39380-77-3)

Guidance literature:

In neat (no solvent); slowly at 80-160°C;; POCl3 only supposed;;

DOI:10.1021/ja02238a004

Reference yield:

thionyl chloride (7719-09-7) + phosphan (7803-51-2) → hydrogenchloride (7647-01-0,15364-23-5) + trichlorothiophosphine (3982-91-0) + phosphorus + phosphorus sulfide (1314-85-8) + trichlorophosphate (10025-87-3,12599-09-6,63736-95-8,39380-77-3)

Guidance literature:

In neat (no solvent); room temp.;; further unidentified liquid products;;

upstream raw materials:

barium sulfide

phosphorus pentachloride

thionyl chloride

sulfur dioxide

Downstream raw materials:

tetrabutyldiphosphine disulfide

di-n-butylthioxophosphoranyl bromide

(2R,4S,5R)-(-)-2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine-2-thione

(2S,4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine 2-sulfide

Refernces

Synthesis, characterization, and biological activity of organophosphates derived from substituted benzoxazole

10.1002/hc.20551

The research aimed to synthesize and characterize a series of organophosphates derived from 2-(2′-mercaptophenyl)benzoxazole and evaluate their antifungal and insecticidal activities. The key chemicals used in the research included phosphorus oxychloride (POCl?) and phosphorus thiochloride (PSCl?), which were reacted with 2-(2′-mercaptophenyl)benzoxazole in various molar ratios in the presence of triethylamine. The synthesized organophosphates were characterized using elemental analysis, infrared spectroscopy, 1H NMR, 31P NMR, and mass spectrometry. The antifungal activity was tested against Aspergillus niger and Fusarium oxysporium, while the insecticidal activity was evaluated against Periplenata americana. The results indicated that the organophosphates exhibited enhanced antifungal and insecticidal activities compared to the parent compound, 2-(2′-mercaptophenyl)benzoxazole, with sulfur-containing derivatives showing higher toxicity. This suggests that the synthesized organophosphates could serve as effective bioactive compounds for agricultural and medicinal applications.