Phosphorothioic acid, O-methyl O-(p-nitrophenyl) ester

Base Information

• Chemical Name: Phosphorothioic acid, O-methyl O-(p-nitrophenyl) ester
• CAS No.: 7699-30-1
• Molecular Formula: C7H8NO5PS
• Molecular Weight: 249.184
• DSSTox Substance ID: DTXSID40998275
• Mol file: 7699-30-1.mol

Synonyms:Desmethyl parathion;Desmethyl methyl parathion;7699-30-1;BRN 2286472;Phosphorothioic acid, O-methyl O-(4-nitrophenyl) ester;Phosphorothioic acid, O-methyl O-(p-nitrophenyl) ester;4-06-00-01335 (Beilstein Handbook Reference);C7H8NO5PS;C7-H8-N-O5-P-S;DTXSID40998275;LS-108946;O-methyl O-(4-nitrophenyl) hydrogen phosphorothioate;O-methyl O-(4-nitrophenyl) O-hydrogen phosphorothioate

Chemical Property of Phosphorothioic acid, O-methyl O-(p-nitrophenyl) ester

Chemical Property:

• Vapor Pressure: 1.44E-06mmHg at 25°C
• Boiling Point: 383.5°C at 760 mmHg
• Flash Point: 185.7°C
• PSA: 126.41000
• Density: 1.546g/cm³
• LogP: 3.01060
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 248.98608053
• Heavy Atom Count: 15
• Complexity: 273

Purity/Quality:

DESMETHYL METHYLPARATHION 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=S)(O)OC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of Phosphorothioic acid, O-methyl O-(p-nitrophenyl) ester

There total 2 articles about Phosphorothioic acid, O-methyl O-(p-nitrophenyl) 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:

parathion-methyl (298-00-0) → methyl p-nitrophenyl phosphorothioic acid (7699-30-1)

Guidance literature:

With diethylamine; In diethyl ether;

Reference yield:

parathion-methyl (298-00-0) → p-nitrophenyl phosphorothioate (18429-96-4) + methyl p-nitrophenyl phosphorothioic acid (7699-30-1)

Guidance literature:

lead(II) nitrate; In methanol; water; pH=3.5 - 7.0; Further Variations:; Catalysts; Kinetics;

DOI:10.1021/es960499q

Reference yield: 90.0%

methyl p-nitrophenyl phosphorothioic acid (7699-30-1) → O-methyl-O-(4-nitrophenyl) phosphorochloridothioate (343628-27-3,96790-19-1)

Guidance literature:

With phosphorus pentachloride; In chloroform; at 0 ℃; for 2h;

DOI:10.1016/j.tet.2011.10.085

upstream raw materials:

parathion-methyl

Downstream raw materials:

O-methyl-O-(4-nitrophenyl) phosphorochloridothioate