(4-Nitrophenoxy)phosphonothioyl dichloride

Base Information

• Chemical Name: (4-Nitrophenoxy)phosphonothioyl dichloride
• CAS No.: 4225-51-8
• Molecular Formula: C6H4 Cl2 N O3 P S
• Molecular Weight: 272.048
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID60400466
• Nikkaji Number: J1.073.165H
• Wikidata: Q82203465
• Mol file: 4225-51-8.mol

Synonyms:4225-51-8;(4-nitrophenoxy)phosphonothioyl dichloride;4-NITROPHENYL PHOSPHORODICHLORIDOTHIOATE;dichloro-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane;Phosphorodichloridothioicacid, O-(4-nitrophenyl) ester (9CI);AC1N4VAB;C6H4Cl2NO3PS;SCHEMBL8877085;DTXSID60400466;(4-nitrophenoxy)phosphonothioyldichloride;EN300-254376;Dichloridothiophosphoric acid 4-nitrophenyl ester

Chemical Property of (4-Nitrophenoxy)phosphonothioyl dichloride

Chemical Property:

• PSA: 96.95000
• LogP: 4.84950
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 270.9026565
• Heavy Atom Count: 14
• Complexity: 258

Purity/Quality:

4-NITROPHENYL PHOSPHORODICHLORIDOTHIOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OP(=S)(Cl)Cl

Technology Process of (4-Nitrophenoxy)phosphonothioyl dichloride

There total 4 articles about (4-Nitrophenoxy)phosphonothioyl dichloride 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: 80.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 4-nitrophenyl dichlorothiophosphate (4225-51-8)

Guidance literature:

With sodium hydroxide; trichlorophosphate; PEG-400; In chloroform; water; at 0 - 20 ℃;

Reference yield: 76.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → bis(p-nitrophenyl)phosphorochloridothioate (52678-80-5) + 4-nitrophenyl dichlorothiophosphate (4225-51-8)

Guidance literature:

With water; potassium carbonate; trichlorophosphate; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; at 20 - 40 ℃; for 3.75h;

Reference yield:

→ 4-nitrophenyl dichlorothiophosphate (4225-51-8)

Guidance literature:

With sulfur;

upstream raw materials:

4-nitro-phenol

Downstream raw materials:

parathion

O-ethyl-O-(4-nitrophenyl)thiophosphorochloride

2-(4-nitro-phenoxy)-[1,3,2]dioxaphospholane-2-sulfide

Thiophosphoramidic acid O-methyl ester O'-(4-nitro-phenyl) ester

Refernces

• 1、 Bull, E.O. John,Naidu. "In search of new organophosphorus pesticides and insecticides. Part III: Synthesis and anticholinesterase studies of 3-(subs)-quinoxy/pyridinoxy/cyclica mino-2,3-dihydro-2-(4-chlorophenyl)-1H-naphth [1,2-E][1,3,2] oxazaphosphorine 3-sulfides". . p. 9 - 20. Retrieved 2007/10/03.
• 2、 Shipov,Genkina,Mastryukova,Kabachnik. "Phase-Transfer Reactions of Phosphorus Thiochloride with Phenols in the System Liquid-Solid Phase". . p. 1345 - 1348. Retrieved 2007/10/03.