3820-53-9

Basic information

• Product Name: Thiophosphoric acid O,O-dimethyl S-(4-nitrophenyl) ester
• Synonyms: Thiophosphoric acid O,O-dimethyl S-(4-nitrophenyl) ester
• CAS NO: 3820-53-9
• Molecular Formula: C₈H₁₀NO₅PS
• Molecular Weight: 263.22
• Mol File: 3820-53-9.mol
• Article Data: 2

Chemical Properties

• Melting Point: 55.5°C
• Appearance: /solid
• CAS DataBase Reference: Thiophosphoric acid O,O-dimethyl S-(4-nitrophenyl) ester(CAS DataBase Reference)
• NIST Chemistry Reference: Thiophosphoric acid O,O-dimethyl S-(4-nitrophenyl) ester(3820-53-9)
• EPA Substance Registry System: Thiophosphoric acid O,O-dimethyl S-(4-nitrophenyl) ester(3820-53-9)

Safety Data

• Hazardous Substances Data: 3820-53-9(Hazardous Substances Data)

Upstream product

• 937-32-6 4-nitrobenzenesulfenyl chloride 
• 96-36-6 methyl phosphite 
• 100-32-3 di(p-nitrophenyl) disulfide 
• 121-45-9 phosphorous acid trimethyl ester 
• 868-85-9 Dimethyl phosphite 
• 98-74-8 4-Nitrobenzenesulfonyl chloride 
• 1849-36-1 para-nitrobenzenethiol 
• 813-77-4 Dimethyl chlorophosphate 

Downstream Products

• 45797-13-5 4-nitrophenylthiolate 

Relevant articles and documents

A green and efficient route for P ? S ? C bond construction using copper ferrite nanoparticles as catalyst: a TD-DFT study

Magnetic nanoparticles of CuFe2O4 were applied as catalyst system for one-pot thiophosphate synthesis via the reaction of aryl sulfonyl chlorides with H-phosphonates under conventional heating conditions. This is an extremely efficient and green method for thiophosphate synthesis under base- and solvent-free conditions. Various thiophosphates were obtained in good to excellent yields under the optimized reaction conditions in a short time. The catalyst can be easily recycled from the reaction by an external magnetic field and reused for the next run. In this study, TD-DFT B3LYP/6-31 + G(d) calculations are in good accord with the experimental results. A comparison between experimental and theoretical UV-vis absorption spectra of the thiophosphate 3k has been carried out; and a small hypsochromic shift (only ～ 2 nm) was displayed at maximum absorption. The aim of this work is to investigate the best method and basis set for thiophosphate compounds; therefore, predictions for these compounds can be performed in theoretical studies.