Azinphosmethyl oxon

Base Information

• Chemical Name: Azinphosmethyl oxon
• CAS No.: 961-22-8
• Molecular Formula: C₁₀H₁₂N₃O₄PS
• Molecular Weight: 301.263
• Hs Code.: 2933699090
• DSSTox Substance ID: DTXSID4058499
• Nikkaji Number: J104.086C
• Wikidata: Q81976867
• Mol file: 961-22-8.mol

Synonyms:azinphosmethyl oxon

Chemical Property of Azinphosmethyl oxon

Chemical Property:

• Vapor Pressure: 4.39E-07mmHg at 25°C
• Boiling Point: 414.6°Cat760mmHg
• Flash Point: 204.5°C
• PSA: 118.42000
• Density: 1.52g/cm³
• LogP: 1.88310
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 301.02861404
• Heavy Atom Count: 19
• Complexity: 412

Purity/Quality:

99% ^*data from raw suppliers

Guthoxon ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(OC)SCN1C(=O)C2=CC=CC=C2N=N1

Technology Process of Azinphosmethyl oxon

There total 3 articles about Azinphosmethyl oxon 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:

3-bromomethyl-3H-benzo[d][1,2,3]triazin-4-one (98434-37-8) → azinphos methyl oxon (961-22-8)

Guidance literature:

With acetone;

Reference yield:

1,2,3-benzotriazin-4(3H)-one (90-16-4) → azinphos methyl oxon (961-22-8)

Guidance literature:

Multi-step reaction with 3 steps

1: water

2: acetonitrile; PBr₃

3: acetone

With water; phosphorus tribromide; acetone; acetonitrile;

Reference yield:

3-(hydroxymethyl)benzotriazin-4(3H)-one (24310-40-5) → azinphos methyl oxon (961-22-8)

Guidance literature:

Multi-step reaction with 2 steps

1: acetonitrile; PBr₃

2: acetone

With phosphorus tribromide; acetone; acetonitrile;

upstream raw materials:

3-bromomethyl-3H-benzo[d][1,2,3]triazin-4-one

1,2,3-benzotriazin-4(3H)-one

3-(hydroxymethyl)benzotriazin-4(3H)-one