O-(4-Chlorophenyl) O,O-diethyl phosphorothioate

Base Information

• Chemical Name: O-(4-Chlorophenyl) O,O-diethyl phosphorothioate
• CAS No.: 5857-62-5
• Molecular Formula: C31H30BrN3O3
• Molecular Weight: 280.712
• DSSTox Substance ID: DTXSID70974128
• Nikkaji Number: J1.435.832C
• Wikidata: Q82958276
• Mol file: 5857-62-5.mol

Synonyms:O-(4-Chlorophenyl) O,O-diethyl phosphorothioate;BRN 1978521;O,O-Diethyl O-(4-chlorophenyl) phosphorothioate;Phosphorothioic acid, O-(4-chlorophenyl) O,O-diethyl ester;DTXSID70974128;diethyl 4-chlorophenyl thio-phosphate;LS-108480;O-(4-chlorophenyl) O,O-diethyl thiophosphate;Thiophosphoric acid O,O-diethyl O-(4-chlorophenyl) ester

Chemical Property of O-(4-Chlorophenyl) O,O-diethyl phosphorothioate

Chemical Property:

• Density: 1.29g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 280.0089802
• Heavy Atom Count: 16
• Complexity: 234

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=S)(OCC)OC1=CC=C(C=C1)Cl

Technology Process of O-(4-Chlorophenyl) O,O-diethyl phosphorothioate

There total 5 articles about O-(4-Chlorophenyl) O,O-diethyl phosphorothioate 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:

diethyl phosphorochloridothioate (2524-04-1) + sodium 4-chlorophenolate (1193-00-6) → O,O-Diethyl O-p-chlorophenyl phosphorothioate (5857-62-5)

Guidance literature:

With pyridine; chlorobenzene;

Reference yield:

diethyl phosphorochloridothioate (2524-04-1) + 4-chloro-phenol (106-48-9,82344-39-6) → O,O-Diethyl O-p-chlorophenyl phosphorothioate (5857-62-5)

Guidance literature:

With sodium carbonate; butanone;

Reference yield:

p-chlorobenzenediazonium chloride (2028-74-2) + sodium diethylthiophosphate (5852-63-1) → O,O-Diethyl O-p-chlorophenyl phosphorothioate (5857-62-5) + thiophosphoric acid S-(4-chlorophenyl) ester O,O'-diethyl ester (4524-70-3)

Guidance literature:

With copper(II) sulfate;

upstream raw materials:

p-chlorobenzenediazonium chloride

sodium diethylthiophosphate

diethyl phosphorochloridothioate

sodium 4-chlorophenolate

Downstream raw materials:

ethyl phosphodichloridite