Phosalone

Base Information

• Chemical Name: Phosalone
• CAS No.: 2310-17-0
• Deprecated CAS: 54182-71-7,29562-46-7,11129-09-2,11129-09-2,12650-35-0,29562-46-7
• Molecular Formula: C12H15ClNO4PS2
• Molecular Weight: 367.814
• Hs Code.: 2934999021
• European Community (EC) Number: 218-996-2
• ICSC Number: 0797
• UN Number: 2783
• UNII: 448B85HT8M
• DSSTox Substance ID: DTXSID1024259
• Nikkaji Number: J2.146F
• Wikipedia: Phosalone
• Wikidata: Q413116
• Metabolomics Workbench ID: 49673
• ChEMBL ID: CHEMBL1528531
• Mol file: 2310-17-0.mol

Synonyms:fosalon;fozalone;phoazlone;phosalone;phozalone;Zolone

Chemical Property of Phosalone

Chemical Property:

• Appearance/Colour: colourless or white crystals
• Vapor Pressure: 3.57E-08mmHg at 25°C
• Melting Point: 45-48oC
• Refractive Index: 1.608
• Boiling Point: 446.678 °C at 760 mmHg
• PKA: -1.75±0.20(Predicted)
• Flash Point: 223.943 °C
• PSA: 120.80000
• Density: 1.443 g/cm³
• LogP: 4.88670
• Storage Temp.: 0-6°C
• Water Solubility.: 3.05 mg l-1 (25°C)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 366.9868650
• Heavy Atom Count: 21
• Complexity: 418

Purity/Quality:

99% ^*data from raw suppliers

Phosalone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 21-25-50/53-43-20/21
• Safety Statements: 36/37-45-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Organophosphate Insecticides
• Canonical SMILES: CCOP(=S)(OCC)SCN1C2=C(C=C(C=C2)Cl)OC1=O
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly.
• Effects of Short Term Exposure: Cholinesterase inhibition. The substance may cause effects on the nervous system. This may result in convulsions and respiratory depression. The effects may be delayed. Medical observation is indicated. Exposure could cause death. The substance is mildly irritating to the eyes and skin.
• Effects of Long Term Exposure: Cholinesterase inhibition. Cumulative effects are possible. See Acute Hazards/Symptoms. Repeated or prolonged contact may cause skin sensitization.
• Uses: Insecticide, acaricide. Insecticide; acaracide Phosalone is a organophosphate compouund used as insecticide and acaricide. Phosalone is a weak inhibitor of acetylcholinesterase. Phosalone is used to control codling moth, aphids, beetles and thrips on fruit trees

Technology Process of Phosalone

There total 2 articles about Phosalone 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 6-chlorobenzo[d]oxazol-2(3H)-one (19932-84-4) + O,O-Diethyl hydrogen phosphorodithioate (298-06-6) → phosalone (2310-17-0)

Guidance literature:

Multistep reaction; (i) aq. H₂SO₄, (ii) /BRN= 1209228/;

DOI:10.1002/hlca.19740570619

Reference yield:

→ phosalone (2310-17-0)

Guidance literature:

Reference yield:

tetrachloropalladium anion (14349-67-8) + phosalone (2310-17-0) → PdCl2((C8H5NO2Cl)(C2H5O)2PSS)2 (105451-18-1) + chloride (16887-00-6)

Guidance literature:

With HCl; In chloroform; water; extn. aq. soln. of Pd-compd. and HCl (> 1.0 M) in sepd. funnel to CHCl3soln. of P-compd. (room temp.); not isolated; determined by electronic absorption spectra;

upstream raw materials:

formaldehyd

6-chlorobenzo[d]oxazol-2(3H)-one

O,O-Diethyl hydrogen phosphorodithioate

Downstream raw materials:

PdCl₂((C₈H₅NO₂Cl)(C₂H₅O)2PSS)2

chloride

PdCl₂(C₈H₅NO₂Cl)(C₂H₅O)2PSS(H₂O)

Refernces

• 1、 -. "Nitro- and cyanoguanidines as selective preemergence herbicides and plant defoliants". . . Retrieved 2008/06/13.