Isocarbophos

Base Information

• Chemical Name: Isocarbophos
• CAS No.: 24353-61-5
• Deprecated CAS: 39284-27-0
• Molecular Formula: C11H16NO4PS
• Molecular Weight: 289.292
• Hs Code.: 2929909013
• European Community (EC) Number: 246-192-1
• UNII: 7741NPW06X
• DSSTox Substance ID: DTXSID7042063
• Nikkaji Number: J1.786.837C
• Wikidata: Q27117953
• Metabolomics Workbench ID: 55971
• ChEMBL ID: CHEMBL3185588
• Mol file: 24353-61-5.mol

Synonyms:isocarbophos;O-2-isopropoxycarbonylphenyl O-methyl phosphoramidothioate

Chemical Property of Isocarbophos

Chemical Property:

• Vapor Pressure: 3.9E-06mmHg at 25°C
• Melting Point: 45～49℃
• Refractive Index: 1.56
• Boiling Point: 385.1 °C at 760 mmHg
• PKA: -1.34±0.70(Predicted)
• Flash Point: 186.7 °C
• PSA: 112.68000
• Density: 1.275 g/cm³
• LogP: 3.81110
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 289.05376616
• Heavy Atom Count: 18
• Complexity: 337

Purity/Quality:

Isocarbophos ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, F, T
• Hazard Codes: F;Xn,Xn,F,T
• Statements: 11-38-48/20-63-65-67-25-21
• Safety Statements: 36/37-62-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC
• Description: Isocarbophos is a broad-spectrum organophosphorus insecticide used to control a variety of leaf-eating and soil insects on rice, fruit and other crops1-3. It can control various kinds of pests such as aphids, spider mite, borers and leaf rollers. However, it is an insecticide without EU regulatory approval for use. It has a moderate level of water solubility. It has caused environmental pollution in many areas but little is known regarding its environmental fate1-2. It is highly toxic to mammals and also has a high potential for bioaccumulation. It is an acetyl cholinesterase inhibitor and a neurotoxin1.
• Uses: Isocarbophos is an organophosphorus pesticide residue found in spicy foods and nuts.

Technology Process of Isocarbophos

There total 1 articles about Isocarbophos 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:

→ (RS)-O-2-isopropoxycarbonylphenyl O-methylphosphoramidothioate (24353-61-5,39284-27-0)

Guidance literature:

entspr. Chlorid, NH3;

Reference yield:

(RS)-O-2-isopropoxycarbonylphenyl O-methylphosphoramidothioate (24353-61-5,39284-27-0) → isopropyl salicylate (607-85-2)

Guidance literature:

With calcium(II) ion; at 37 ℃; for 3h; pH=7.5; pH-value; Kinetics; Microbiological reaction;

DOI:10.1016/j.jhazmat.2021.126024

Reference yield:

(RS)-O-2-isopropoxycarbonylphenyl O-methylphosphoramidothioate (24353-61-5,39284-27-0) → isopropyl salicylate (607-85-2) + 2-((amino(methoxy)phosphorothioyl)oxy)benzoic acid

Guidance literature:

With calcium(II) ion; at 37 ℃; for 3h; pH=11; pH-value; Kinetics; Microbiological reaction; Alkaline conditions;

DOI:10.1016/j.jhazmat.2021.126024

Downstream raw materials:

(+)-isocarbophos

(-)-isocarbophos

isopropyl salicylate