Dicapthon

Base Information

• Chemical Name: Dicapthon
• CAS No.: 2463-84-5
• Molecular Formula: C8H9 Cl N O5 P S
• Molecular Weight: 297.656
• Hs Code.: 29201900
• European Community (EC) Number: 623-752-7
• UNII: 6RQZ0Q90M7
• DSSTox Substance ID: DTXSID0041850
• Nikkaji Number: J6.187E
• Wikidata: Q27265392
• ChEMBL ID: CHEMBL160555
• Mol file: 2463-84-5.mol

Synonyms:DICAPTHON;2463-84-5;Isochlorthion;Dicapthion;Captec;Isochlorothion;Dicaptan;Dicapton;Phosphorothioic acid, O-(2-chloro-4-nitrophenyl) O,O-dimethyl ester;Isomeric chlorthion;Phosnichlor [ISO];Isochloorthion;Isomeric clorthio;Insecticide ACC 4124;American cyanamid 4,124;OMS-214;Caswell No. 296;Experimental insecticide 4124;Isochloorthion [Dutch];ENT 17,035;AC 4124;BAY 14981;Dimethyl 2-chloronitrophenyl thiophosphate;HSDB 1564;ACC 4124;p-Nitro-o-chlorophenyl dimethyl thionophosphate;American Cyanamid 4124;ENT 17035;2-Chloro-4-nitrophenyl dimethyl phosphorothioate;EPA Pesticide Chemical Code 034502;BRN 1998406;UNII-6RQZ0Q90M7;O,O-Dimethyl O-(2-chloro-4-nitrophenyl)phosphorothioate;O,O-Dimethyl O-2-chloro-4-nitrophenyl phosphorothioate;O,O-Dimethyl-O-(2-chloro-4-nitrophenyl)thionophosphate;AI3-17035;6RQZ0Q90M7;O-(2-Chloro-4-nitrophenyl) O,O-dimethyl phosphorothioate;DTXSID0041850;OMS 214;Phenol, 2-chloro-4-nitro-, O-ester with O,O-dimethyl phosphorothioate;ENT-17035;O-(4-Cloro-3-nitro-fenil)-O,O-dimetil-monotiofosfato;O-(2-Chloro-4-nitrophenyl) O,O-dimethylphosphorothioate;O-(4-Chloor-3-nitro-fenyl)-O,O-dimethylmonothiofosfaat;O-(4-Chlor-3-nitro-phenyl)-O,O-dimethyl-monothiophosphat;O-(4-Chloor-3-nitro-fenyl)-O,O-dimethylmonothiofosfaat [Dutch];Thiophosphate de O,O-dimethyle et de O-4-chloro-3-nitrophenyle;O-(4-Chlor-3-nitro-phenyl)-O,O-dimethyl-monothiophosphat [German];O-(4-Cloro-3-nitro-fenil)-O,O-dimetil-monotiofosfato [Italian];Phosphorothioic acid O-(2-chloro-4-nitrophenyl) O,O-dimethyl ester;Thiophosphate de O,O-dimethyle et de O-4-chloro-3-nitrophenyle [French];4-06-00-01355 (Beilstein Handbook Reference);(2-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane;Dicapthon;Experimental Insecticide 4124;Dicaphton;DICAPTHON [MI];DICAPTHON [HSDB];SCHEMBL118674;CHEMBL160555;DTXCID8021850;Tox21_301908;BAY-14981;AKOS015903389;AKOS040744446;NCGC00255656-01;CAS-2463-84-5;LS-108467;O,O-dimethyl 2-chloro-4-nitrophenyl thiophosphate;J-015611;o-(2-Chloro-4-nitrophenyl) o,o-dimethyl thiophosphate;Q27265392;O-(2-Chloro-4-nitrophenyl) O,O-dimethyl thiophosphate #;O-2-CHLORO-4-NITROPHENYL O,O-DIMETHYL PHOSPHOROTHIOATE;(2-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-?^{5}-phosphane

Chemical Property of Dicapthon

Chemical Property:

• Vapor Pressure: 6.26E-05mmHg at 25°C
• Melting Point: 53℃
• Boiling Point: 355.8°Cat760mmHg
• Flash Point: 169°C
• PSA: 115.41000
• Density: 1.499g/cm³
• LogP: 4.31810
• Water Solubility.: 7.8mg/L(room temperature)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 296.9627583
• Heavy Atom Count: 17
• Complexity: 318

Purity/Quality:

99% ^*data from raw suppliers

Dicapthon ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Organophosphate Insecticides
• Canonical SMILES: COP(=S)(OC)OC1=C(C=C(C=C1)[N+](=O)[O-])Cl
• Uses: Insecticide. Dicapthon is an organophosphorus pesticide.

Technology Process of Dicapthon

There total 3 articles about Dicapthon 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:

2-chloro-4-nitrophenol (619-08-9) + dimethyl chlorothiophosphate (2524-03-0) → dicapthon (2463-84-5)

Guidance literature:

With sodium carbonate; toluene; copper(l) chloride;

Reference yield:

sodium salt of 2-chloro-4-nitrophenol (38731-70-3) + dimethyl chlorothiophosphate (2524-03-0) → dicapthon (2463-84-5)

Guidance literature:

Reference yield:

→ dicapthon (2463-84-5)

Guidance literature:

upstream raw materials:

2-chloro-4-nitrophenol

dimethyl chlorothiophosphate

sodium salt of 2-chloro-4-nitrophenol

Downstream raw materials:

O,O-dimethyl O-phenyl phosphorothioate

O,O,O-trimethylthiophosphate

2-chloro-4-nitrophenol

Monothiophosphorsaeure-O,O-dimethyl-O-(2,4,5-trichlor-phenylester)

Refernces