Dioxabenzofos

Base Information

• Chemical Name: Dioxabenzofos
• CAS No.: 3811-49-2
• Molecular Formula: C8H9 O3 P S
• Molecular Weight: 216.197
• Hs Code.: 29349990
• European Community (EC) Number: 223-292-3
• UNII: 6ZWK96BZW6
• DSSTox Substance ID: DTXSID7041885
• Nikkaji Number: J3.062G,J367.636F,J367.637D,J26.478D
• Wikidata: Q27155757
• ChEMBL ID: CHEMBL226967
• Mol file: 3811-49-2.mol

Synonyms:salithion

Chemical Property of Dioxabenzofos

Chemical Property:

• Vapor Pressure: 0.00907mmHg at 25°C
• Melting Point: 52.5oC
• Boiling Point: 274.4°Cat760mmHg
• Flash Point: 119.8°C
• PSA: 69.59000
• Density: 1.37g/cm³
• LogP: 3.11710
• Storage Temp.: 0-6°C
• Water Solubility.: 43 mg l-1
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 216.00100232
• Heavy Atom Count: 13
• Complexity: 233

Purity/Quality:

99.9% ^*data from raw suppliers

Dioxabenzofos PESTANAL , analytical standard ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,N
• Statements: 24/25-39/25-51/53
• Safety Statements: 36/37-38-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP1(=S)OCC2=CC=CC=C2O1

Technology Process of Dioxabenzofos

There total 5 articles about Dioxabenzofos 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: 79.0%

O-methyl (O-2-formylphenyl) phosphorochloridothioate → dioxabenzofos (3811-49-2)

Guidance literature:

With sodium tetrahydroborate; In sodium hydroxide; toluene; Ambient temperature;

Reference yield: 30.0%

salicylic alcohol (90-01-7) + O-methyl-O-(4-nitrophenyl) phosphorochloridothioate (343628-27-3,96790-19-1) → dioxabenzofos (3811-49-2) + O,O'-dimethyl O,O'-bis-(p-nitrophenyl) dithiopyrophosphate

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; for 1h; Ambient temperature;

Reference yield:

2-chloro-4H-1,3,2-benzodioxaphosphorin 2-sulfide (66084-67-1) → dioxabenzofos (3811-49-2)

Guidance literature:

With potassium carbonate; In methanol; chloroform;

upstream raw materials:

salicylic alcohol

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

salicylaldehyde

2-chloro-4H-1,3,2-benzodioxaphosphorin 2-sulfide

Downstream raw materials:

salioxon