6996-81-2

Basic information

• Product Name: O,O'-DIETHYL METHYLPHOSPHONOTHIOATE
• Synonyms: Diethyl methylphosphonothionate;Diethyl phosphonothioate;Phosphonothioic acid, methyl-, O,O-diethyl ester;O,O'-DIETHYL METHYLPHOSPHONOTHIOATE;Methylphosphonothioic acid O,O-diethyl ester;Methylthiophosphonic acid O,O-diethyl ester;O,O'-Diethyl methylphosphonothioate 97%
• CAS NO: 6996-81-2
• Molecular Formula: C₅H₁₃O₂PS
• Molecular Weight: 168.19
• Product Categories: Organic Building Blocks;Phosphonates/Phosphinates;Phosphorus Compounds
• Mol File: 6996-81-2.mol

Chemical Properties

• Melting Point: -84.3°C
• Boiling Point: 76-79 °C13 mm Hg(lit.)
• Flash Point: 165 °F
• Appearance: /liquid
• Density: 1.055 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.464(lit.)
• CAS DataBase Reference: O,O'-DIETHYL METHYLPHOSPHONOTHIOATE(CAS DataBase Reference)
• NIST Chemistry Reference: O,O'-DIETHYL METHYLPHOSPHONOTHIOATE(6996-81-2)
• EPA Substance Registry System: O,O'-DIETHYL METHYLPHOSPHONOTHIOATE(6996-81-2)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• WGK Germany: 3
• Hazardous Substances Data: 6996-81-2(Hazardous Substances Data)

Usage

Uses

Used in Molecular Docking Studies:
O,O'-Diethyl Methylphosphonothioate is used as a subject in molecular docking studies for evaluating the carcinogenic potentials of thiophosphonate pesticides. This application is crucial in understanding the interaction between the compound and biological targets, which can provide insights into its potential health risks and environmental impact.

Upstream product

• 585526-52-9 ethyl ({[bis(propan-2-yl)amino]methyl}sulfanyl)(methyl)phosphinate 
• 108230-15-5 O,O-diethyl trimethylsilylmethanephosphonothioate 
• 141-52-6 sodium ethanolate 
• 88065-92-3 (S)-Methyl-phosphonothioic acid O-((2S,3R,4R,5S,6R)-4,5-dimethoxy-6-methoxymethyl-3-methylamino-tetrahydro-pyran-2-yl) ester O-ethyl ester 
• 119-61-9 benzophenone 

Downstream Products

• 18005-40-8 O-ethylmethylthiophosphonic acid 
• 2511-10-6 O,S-diethyl methylphosphonothionate 
• 67857-49-2 2-Phenyl-2-oxoethan-1-thionophosphonsaeurediethylester 
• 676-97-1 methylphosphonic acid dichloroanhydride 
• 683-08-9 Diethyl methylphosphonate 
• 13088-83-0 O-Ethyl-S-propyl-methylphosphonothiolat 

Relevant articles and documents

Visible-light C-heteroatom bond cleavage and detoxification of chemical warfare agents using titania-supported gold nanoparticles as photocatalyst

Gold nanoparticles supported on TiO2 effect the detoxification of soman and VX nerve gases and yperite vesicant agent at room temperature upon visible light illumination.

Fluoride Ion-Induced Horner-Emmons Reaction of α-Silylalkylphosphonic Derivatives with Carbonyl Compounds

Dimethyl α-trimethylsilylbenzylphosphonate was allowed to react with carbonyl compounds in the presence of fluoride ion to give the corresponding olefins in fairly good yields.Use of CsF in tetrahydrofuran gave the best result.On the other hand, dimethyl trimethylsilylmethylphosphonate was allowed to react similarly with benzophenone to afford 1,1-diphenylethylene, dimethyl methylphosphonate, and dimethyl 2,2-diphenylethenylphosphonate.A similar result was obtained by using O,O-diethyl trimethylsilylmethylphophonothioate.But, reaction of trimethylsilylmethylphosphonic bis(diethylamide) afforded only the protodesilylation product.

Use of Carbohydrate Derivatives for Studies of Phosphorus Stereochemistry. Part 8. Preparation and Some Reactions of 1,3,2-Oxazaphospholidine-2-ones and -2-thiones derived from 2-Deoxy-3,4,6-tri-O-methyl-2-methylamino-D-glucopyranose

The four cyclic phosphorus esters from the reaction of MePSCl2 with 2-deoxy-3,4,6-tri-O-methyl-2-methylamino-D-glucopyranose (1) have been separated with difficulty, and structures assigned.Ring-opening of the isomers and subsequent detachment of the chir