Isofenchlorfos

Base Information

• Chemical Name: Isofenchlorfos
• CAS No.: 3309-87-3
• Deprecated CAS: 12679-92-4
• Molecular Formula: C8H10 Cl O3 P S
• Molecular Weight: 252.658
• Hs Code.: 2920190090
• UNII: 2TSV971C7I
• DSSTox Substance ID: DTXSID4058362
• Nikkaji Number: J5.232I
• Wikidata: Q27255589
• Mol file: 3309-87-3.mol

Synonyms:1,2 Dimyristoyl glycero 3 phosphorylcholine;1,2 Ditetradecanoyl glycero 3 phosphocholine;1,2 Ditetradecyl glycero 3 phosphocholine;1,2-Dimyristoyl-glycero-3-phosphorylcholine;1,2-Ditetradecanoyl-glycero-3-phosphocholine;1,2-Ditetradecyl-glycero-3-phosphocholine;Dimyristoyllecithin;Dimyristoylphosphatidylcholine;DMCP;DMPC

Chemical Property of Isofenchlorfos

Chemical Property:

• Vapor Pressure: 0.000738mmHg at 25°C
• Boiling Point: 317°Cat760mmHg
• Flash Point: 145.5°C
• PSA: 70.64000
• Density: 1.35g/cm³
• LogP: 3.83300
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 251.9776800
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

99.9% ^*data from raw suppliers

1-CHLORO-4-DIMETHOXYPHOSPHORYLSULFANYLBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(OC)SC1=CC=C(C=C1)Cl

Technology Process of Isofenchlorfos

There total 13 articles about Isofenchlorfos 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: 90.0%

p-Chlorothiophenol (106-54-7) + phosphorous acid trimethyl ester (121-45-9) → S-(4-chlorophenyl) O,O'-dimethyl phosphorothiolate (3309-87-3)

Guidance literature:

With tellurium tetrachloride; calcium carbonate; In dichloromethane; for 1h; -42 deg C, 5-10 min; room temp. 1 h;

DOI:10.1055/s-1995-4093

Reference yield: 86.0%

4-Chlorophenylboronic acid (1679-18-1) + O,O-dimethyl S-phthalimidophosphorothioate → S-(4-chlorophenyl) O,O'-dimethyl phosphorothiolate (3309-87-3)

Guidance literature:

With [2,2]bipyridinyl; copper(l) iodide; In acetonitrile; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1002/adsc.201701549

Reference yield: 85.0%

4,4'-dichlorodiphenyl disulfide (1142-19-4) + methyl phosphite (96-36-6,868-85-9) → S-(4-chlorophenyl) O,O'-dimethyl phosphorothiolate (3309-87-3)

Guidance literature:

With cesium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 20h;

DOI:10.1016/j.cclet.2013.06.020

upstream raw materials:

4,4'-dichlorodiphenyl disulfide

phosphorous acid trimethyl ester

p-Chlorothiophenol

Dimethyl chlorophosphate

Downstream raw materials:

4-Chloro-benzenethiol anion