Cyanofenphos

Base Information

• Chemical Name: Cyanofenphos
• CAS No.: 13067-93-1
• Molecular Formula: C15H14 N O2 P S
• Molecular Weight: 303.321
• Hs Code.: 2930909090
• European Community (EC) Number: 620-377-0
• UNII: 1X6JV2NE2N
• DSSTox Substance ID: DTXSID5041805
• Nikkaji Number: J3.433I
• Wikidata: Q26841289
• ChEMBL ID: CHEMBL2271087
• Mol file: 13067-93-1.mol

Synonyms:cyanofenphos;cyanophenphos;cyanophenphos, (+-)-isomer;cyanophenphos, (-)-isomer;O-ethyl O-(4-cyanophenyl)phenylphosphonothioate;O-p-cyanophenyl O-ethyl phenylphosphonothioate;S-4087;Surecide

Chemical Property of Cyanofenphos

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 1.76E-08mmHg at 25°C
• Melting Point: 93-96℃
• Refractive Index: nD25 1.5839
• Boiling Point: 423.7°Cat760mmHg
• Flash Point: 210°C
• PSA: 84.15000
• Density: 1.26g/cm³
• LogP: 4.25918
• Storage Temp.: APPROX 4°C
• Water Solubility.: 0.6mg/L(30 oC)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 303.04828686
• Heavy Atom Count: 20
• Complexity: 392

Purity/Quality:

Cyanofenphos ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N,Xn,F
• Hazard Codes: T,N,Xn,F
• Statements: 21-25-36-39/25-51/53-20/21/22-11
• Safety Statements: 36/37-45-61-26-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)C#N
• Uses: Insecticide. Cyanofenphos is an agricultural pesticide used in the protection against insects and fungal diseases.

Technology Process of Cyanofenphos

There total 3 articles about Cyanofenphos 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: 35.3%

4-cyanophenol (767-00-0) + O,O-diethyl phosphoric O-ethyl phenylphosphonothioic anhydride (221616-24-6) → Cyanofenphos (13067-93-1)

Guidance literature:

With potassium carbonate; In acetone; for 1.16667h; Heating;

DOI:10.1271/bbb.63.424

Reference yield:

O-ethyl phenylphosphonothioic acid (6230-93-9) → Cyanofenphos (13067-93-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / Et₃N / tetrahydrofuran / 3 h / Ambient temperature

2: 35.3 percent / K₂CO₃ / acetone / 1.17 h / Heating

With potassium carbonate; triethylamine; In tetrahydrofuran; acetone;

DOI:10.1271/bbb.63.424

Reference yield:

→ Cyanofenphos (13067-93-1)

Guidance literature:

O-Aethyl-phenylthiophosphonsaeure-chlorid, 4-Hydroxy-benzonitril, K2CO3;

upstream raw materials:

4-cyanophenol

O,O-diethyl phosphoric O-ethyl phenylphosphonothioic anhydride

O-ethyl phenylphosphonothioic acid

Downstream raw materials:

O-ethyl phenylphosphonothioic acid