Quinalphos

Base Information

• Chemical Name: Quinalphos
• CAS No.: 13593-03-8
• Deprecated CAS: 37331-41-2,54511-12-5,54511-12-5
• Molecular Formula: C12H15N2O3PS
• Molecular Weight: 298.302
• Hs Code.: 29339900
• European Community (EC) Number: 237-031-6
• UNII: 26S837727Y
• DSSTox Substance ID: DTXSID7024291
• Nikkaji Number: J8.128K
• Wikipedia: Quinalphos
• Wikidata: Q421631
• NCI Thesaurus Code: C163697
• Metabolomics Workbench ID: 53403
• ChEMBL ID: CHEMBL1893890
• Mol file: 13593-03-8.mol

Synonyms:Bayer 77049;Bayrusil;diethylquinalphione;Ekalux;O,O-diethyl-O-(quinoxalinyl-(2))thionophosphate;O,O-diethyl-O-(quinoxalyl)phosphorothioate;quinalphos

Chemical Property of Quinalphos

Chemical Property:

• Appearance/Colour: Colourless crystals
• Vapor Pressure: 7.56E-06mmHg at 25°C
• Melting Point: 31-32oC
• Refractive Index: 1.603
• Boiling Point: 387 °C at 760 mmHg
• PKA: -1.05±0.30(Predicted)
• Flash Point: 187.9 °C
• PSA: 95.37000
• Density: 1.306 g/cm³
• LogP: 3.95670
• Storage Temp.: APPROX 4°C
• Water Solubility.: 17.8 mg l-1 (22-23 °C)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 298.05410052
• Heavy Atom Count: 19
• Complexity: 322

Purity/Quality:

98% ^*data from raw suppliers

Quinalphos ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, N, Xn, F
• Hazard Codes: T,N,Xn,F
• Statements: 21-25-50/53-51/53-36-20/21/22-11
• Safety Statements: 22-36/37-45-60-61-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1
• Uses: Quinalphos is used to control both chewing and sucking insects and mites in a large number of different crops.

Technology Process of Quinalphos

There total 3 articles about Quinalphos 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: 94.1%

C8H5N2O(1-)*Na(1+) (57381-25-6) + diethyl phosphorochloridothioate (2524-04-1) → quinalphos (13593-03-8)

Guidance literature:

With dmap; N-benzyl-N,N,N-triethylammonium chloride; sodium dodecyl sulfate; potassium carbonate; In water; at 50 ℃; for 2.5h; pH=9.5 - 10;

DOI:10.1080/10426507.2012.702824

Reference yield: 67.0%

diethyl phosphorochloridothioate (2524-04-1) + 2-hydroxyquinoxaline (1196-57-2,144499-26-3) → quinalphos (13593-03-8)

Guidance literature:

With PEG-400; aluminum oxide; sodium hydroxide; water; 1.) MeOH, r.t., 30 min, 2.) r.t., 1 h;

DOI:10.1080/00304949809355314

Reference yield:

→ quinalphos (13593-03-8)

Guidance literature:

upstream raw materials:

diethyl phosphorochloridothioate

2-hydroxyquinoxaline

C₈H₅N₂O^(1-)*Na⁽¹⁺⁾

Downstream raw materials:

2-hydroxyquinoxaline

O,O'-diethyl thiophosphoric acid

Refernces

• 1、 -. "Concentrates of organophosphorous insecticides". . . Retrieved 2008/06/13.
• 2、 -. "Insecticidal composition for agricultural and horticultural use". . . Retrieved 2008/06/13.