Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester

Base Information

• Chemical Name: Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester
• CAS No.: 6301-04-8
• Molecular Formula: C6H14ClO3PS
• Molecular Weight: 232.668
• NSC Number: 44148
• DSSTox Substance ID: DTXSID00212227
• Wikidata: Q83087275
• Mol file: 6301-04-8.mol

Synonyms:6301-04-8;Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester;NSC44148;BRN 1707295;S-2-Chloroethyl O,O-diethylphosphorothioate;Fosforan S-(beta-chloroetylo)-O,O-dwuetylowy [Polish];DTXSID00212227;NSC 44148;NSC-44148;Fosforan S-(beta-chloroetylo)-O,O-dwuetylowy;4-01-00-01409 (Beilstein Handbook Reference)

Chemical Property of Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester

Chemical Property:

• Vapor Pressure: 0.0121mmHg at 25°C
• Boiling Point: 269.4°C at 760 mmHg
• Flash Point: 116.7°C
• Density: 1.225g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 232.0089802
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(OCC)SCCCl

Technology Process of Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester

There total 5 articles about Phosphorothioic acid, S-2-chloroethyl O,O-diethyl 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:

2-chloroethyl sulfenyl chloride (26650-04-4) + triethyl phosphite (122-52-1) → thiophosphoric acid S-(2-chloro-ethyl) ester O,O'-diethyl ester (6301-04-8)

Guidance literature:

With toluene;

DOI:10.1021/ja01606a062

Reference yield:

ethene (74-85-1) + diethoxyoxophosphoranesulfenyl chloride (1186-08-9) → thiophosphoric acid S-(2-chloro-ethyl) ester O,O'-diethyl ester (6301-04-8)

Guidance literature:

With benzene;

Reference yield:

ethanol (64-17-5) + thiophosphorodichloridic acid S-(2-chloro-ethyl) ester (22077-83-4) → thiophosphoric acid S-(2-chloro-ethyl) ester O,O'-diethyl ester (6301-04-8)

Guidance literature:

With triethylamine;

upstream raw materials:

ethene

diethoxyoxophosphoranesulfenyl chloride

2-chloroethyl sulfenyl chloride

triethyl phosphite

Downstream raw materials:

2-Chloroethanesulfonyl chloride