Chlorpyrifos oxon

Base Information

• Chemical Name: Chlorpyrifos oxon
• CAS No.: 5598-15-2
• Molecular Formula: C9H11 Cl3 N O4 P
• Molecular Weight: 334.523
• European Community (EC) Number: 690-140-4
• UNII: 7RC6H1MPX6
• DSSTox Substance ID: DTXSID1038666
• Nikkaji Number: J8.023C
• Wikidata: Q26840746
• ChEMBL ID: CHEMBL444970
• Mol file: 5598-15-2.mol

Synonyms:chlorpyrifos oxon;O,O-diethyl O-3,5,6-trichloro-2-pyridyl phosphate

Chemical Property of Chlorpyrifos oxon

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 5.48E-05mmHg at 25°C
• Boiling Point: 357.8°Cat760mmHg
• PKA: -5.28±0.10(Predicted)
• Flash Point: 170.2°C
• PSA: 67.46000
• Density: 1.461g/cm³
• LogP: 4.60170
• Storage Temp.: 0-6°C
• Water Solubility.: 0.52g/L(24 oC)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 332.949128
• Heavy Atom Count: 18
• Complexity: 300

Purity/Quality:

98%Min ^*data from raw suppliers

ChlorpyrifosOxon ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl
• Uses: Chlorpyrifos Oxon is a metabolite of Chlorpyrifos (C425300) in human.

Technology Process of Chlorpyrifos oxon

There total 5 articles about Chlorpyrifos oxon 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: 95.0%

diethyl chlorophosphate (814-49-3) + sodium salt of 3,5,6-trichloropyridine-2-ol → chlopyrifos oxon (5598-15-2)

Guidance literature:

In acetonitrile; for 1h; Heating;

DOI:10.1021/jf960144q

Reference yield: 80.0%

Chlorpyrifos (2921-88-2,39475-55-3) → chlopyrifos oxon (5598-15-2)

Guidance literature:

With dihydrogen peroxide; In acetic acid; for 3h; Irradiation;

Reference yield:

Chlorpyrifos (2921-88-2,39475-55-3) → 3,5,6-trichloropyridin-2 ol (6515-38-4) + chlopyrifos oxon (5598-15-2) + phosphonic acid diethyl ester (762-04-9)

Guidance literature:

With titanium(IV) dioxide; In water; acetonitrile; at 25 ℃; for 0.5h; Concentration; Irradiation;

upstream raw materials:

diethyl chlorophosphate

Chlorpyrifos

Downstream raw materials:

3,5,6-trichloropyridin-2 ol

Refernces

• 1、 Liu, Xiang-Ying,Wang, Lifeng,Bai, Lian-Yang,Zhou, Xiao-Mao,Luo, Kun. "Photocatalytic degradation and intermediates characteristics of chlopyrifos by nano-TiO2". . p. 469 - 476. Retrieved 2013/11/06.
• 2、 Fakhr, I. M. I.,Hegazi, B.,Khatab, M. S.,Zayed, S. M. A. D.. "Fate of Ethyl-1-14C-labelled Chlorpyrifos in Cotton Leaf Worm". . p. 145 - 154. Retrieved 2007/10/03.