O,O-Diethyl O-(pentachlorophenyl) phosphorothioate

Base Information

• Chemical Name: O,O-Diethyl O-(pentachlorophenyl) phosphorothioate
• CAS No.: 895-92-1
• Molecular Formula: C₁₀H₁₀Cl₅O₃PS
• Molecular Weight: 418.492
• NSC Number: 26150
• DSSTox Substance ID: DTXSID601008847
• Wikidata: Q83005452
• Mol file: 895-92-1.mol

Synonyms:895-92-1;NSC26150;DTXSID601008847;NSC-26150;O,O-Diethyl O-(pentachlorophenyl) phosphorothioate

Chemical Property of O,O-Diethyl O-(pentachlorophenyl) phosphorothioate

Chemical Property:

• Vapor Pressure: 4.01E-07mmHg at 25°C
• Boiling Point: 427.7°C at 760 mmHg
• Flash Point: 212.4°C
• Density: 1.564g/cm³
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 417.850141
• Heavy Atom Count: 20
• Complexity: 338

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=S)(OCC)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl

Technology Process of O,O-Diethyl O-(pentachlorophenyl) phosphorothioate

There total 3 articles about O,O-Diethyl O-(pentachlorophenyl) 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:

Pentachlorophenol (87-86-5,67471-28-7) → thiophosphoric acid O,O'-diethyl ester-O''-pentachlorophenyl ester (895-92-1)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N

2: sulfur

With sulfur; triethylamine;

DOI:10.1007/BF00844484

Reference yield:

Pentachlorophenol (87-86-5,67471-28-7) + diethyl phosphorochloridothioate (2524-04-1) → thiophosphoric acid O,O'-diethyl ester-O''-pentachlorophenyl ester (895-92-1)

Guidance literature:

With pyridine hydrochloride;

Reference yield:

→ thiophosphoric acid O,O'-diethyl ester-O''-pentachlorophenyl ester (895-92-1)

Guidance literature:

Pentachlorphenol(III), entspr. Phosphorylchlorid (I), AgNO3;

upstream raw materials:

Pentachlorophenol

diethyl phosphorochloridothioate