O-4-Cyano-o-tolyl O,O-dimethyl phosphorothioate

Base Information

• Chemical Name: O-4-Cyano-o-tolyl O,O-dimethyl phosphorothioate
• CAS No.: 76211-54-6
• Molecular Formula: C10H12 N O3 P S
• Molecular Weight: 257.25
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID40227072
• Wikidata: Q83106696
• Mol file: 76211-54-6.mol

Synonyms:Methyl 3-cyanophos;76211-54-6;BRN 2697616;O-4-Cyano-o-tolyl O,O-dimethyl phosphorothioate;Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile;Phosphorothioic acid, O-(4-cyano-2-methylphenyl) O,O-dimethyl ester;DTXSID40227072;C10-H12-N-O3-P-S;LS-108798

Chemical Property of O-4-Cyano-o-tolyl O,O-dimethyl phosphorothioate

Chemical Property:

• Vapor Pressure: 5.82E-05mmHg at 25°C
• Boiling Point: 346.3°C at 760 mmHg
• Flash Point: 163.2°C
• PSA: 93.38000
• Density: 1.27g/cm³
• LogP: 3.41338
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 257.02755142
• Heavy Atom Count: 16
• Complexity: 319

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C#N)OP(=S)(OC)OC

Technology Process of O-4-Cyano-o-tolyl O,O-dimethyl phosphorothioate

There total 2 articles about O-4-Cyano-o-tolyl O,O-dimethyl phosphorothioate 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: 31.0%

dimethyl chlorothiophosphate (2524-03-0) + potassium 4-cyano-2-methylphenoxide (76211-56-8) → O-(4-cyano-2-methylphenyl) O,O-dimethyl phosphorothioate (76211-54-6)

Guidance literature:

In butanone; for 30h; Heating;

Reference yield:

→ O-(4-cyano-2-methylphenyl) O,O-dimethyl phosphorothioate (76211-54-6)

Guidance literature:

O,O-Dimethyl-thiophosphorsaeure-chlorid, 4-Hydroxy-3-methyl-benzonitril, K2CO3;

Reference yield:

O-(4-cyano-2-methylphenyl) O,O-dimethyl phosphorothioate (76211-54-6) → Natriumsalz des Thiophosphorsaeure-O,O-dimethylesters (23754-87-2)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water; at 25 ℃; Rate constant;

upstream raw materials:

dimethyl chlorothiophosphate

potassium 4-cyano-2-methylphenoxide

Downstream raw materials:

Natriumsalz des Thiophosphorsaeure-O,O-dimethylesters