Phosphonochloridothioic acid, ethyl-, O-ethyl ester

Base Information

• Chemical Name: Phosphonochloridothioic acid, ethyl-, O-ethyl ester
• CAS No.: 1497-68-3
• Deprecated CAS: 13547-40-5
• Molecular Formula: C4H10 Cl O P S
• Molecular Weight: 172.616
• European Community (EC) Number: 216-095-9
• UNII: CFY347HVKZ
• DSSTox Substance ID: DTXSID8027406
• Nikkaji Number: J206.701C
• Wikidata: Q27275441
• Mol file: 1497-68-3.mol

Synonyms:1497-68-3;Phosphonochloridothioic acid, ethyl-, O-ethyl ester;O-ETHYL ETHYLTHIOPHOSPHONYL CHLORIDE;O-Ethyl ethylchloridothiophosphonate;O-Ethyl ethylphosphonochloridothioate;O-Ethyl ethanephosphonothionochloridate;HSDB 5833;EINECS 216-095-9;UNII-CFY347HVKZ;O-Ethyl ethanephosphonochloridothioate;CFY347HVKZ;Ethanephosphonochloridothioic acid, O-ethyl ester;Ethylthionophosphonic acid O-ethyl ester chloride;chloro-ethoxy-ethyl-sulfanylidene-lambda5-phosphane;Phosphonochloridothioic acid, P-ethyl-, O-ethyl ester;C4H10ClOPS;C4-H10-Cl-O-P-S;SCHEMBL3828727;DTXSID8027406;LS-195304;Ethylphosphonochloridothioic acid O-ethyl ester;O-ETHYL ETHYLTHIOPHOSPHONYL CHLORIDE [HSDB];Q27275441

Chemical Property of Phosphonochloridothioic acid, ethyl-, O-ethyl ester

Chemical Property:

• Vapor Pressure: 1.13mmHg at 25°C
• Boiling Point: 182°Cat760mmHg
• Flash Point: 63.9°C
• PSA: 51.13000
• Density: 1.195g/cm³
• LogP: 3.24170
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 171.9878508
• Heavy Atom Count: 8
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Other Toxic Gases & Vapors
• Canonical SMILES: CCOP(=S)(CC)Cl

Technology Process of Phosphonochloridothioic acid, ethyl-, O-ethyl ester

There total 10 articles about Phosphonochloridothioic acid, ethyl-, O-ethyl ester 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:

ethanol (64-17-5) + ethylphosphonothioic dichloride (993-43-1) → O-ethyl ethylphosphonochloridothioate (1497-68-3)

Guidance literature:

With triethylamine;

DOI:10.1021/ja01548a037

Reference yield:

ethanol (64-17-5) + dichlorophosphinoethane (1498-40-4) → O-ethyl ethylphosphonochloridothioate (1497-68-3)

Guidance literature:

With sulfur; triethylamine;

DOI:10.1021/ja01548a037

Reference yield:

O-ethyl-O-(2,5-dichloro-4-cyano-phenyl)-ethylthionophosphonate (64582-44-1) → potassium 2,5-dichloro-4-cyano-phenolate + O-ethyl ethylphosphonochloridothioate (1497-68-3)

Guidance literature:

upstream raw materials:

ethanol

ethylphosphonothioic dichloride

dichlorophosphinoethane

O-ethylethylthiophosphonic acid

Downstream raw materials:

C₁₆H₂₃O₅PS

C₁₅H₂₀BrO₄PS

C₁₅H₂₀ClO₄PS

C₁₆H₂₃O₄PS

Refernces

• 1、 Michalski,J.,Mikolajczyk,M.. "-". . p. 3055 - 3059. Retrieved 1966.
• 2、 Skowronska, Aleksandra,Krawczyk, Ewa,Burski, Janusz. "REACTION OF TRICOORDINATE PHOSPHORUS COMPOUNDS WITH PSEUDOHALOGENS. SCOPE AND MECHANISM". . p. 233 - 236. Retrieved 2007/10/02.