Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester

Base Information

• Chemical Name: Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester
• CAS No.: 67205-61-2
• Molecular Formula: C19H23Cl4NO2
• Molecular Weight: 439.2034
• NSC Number: 316468
• DSSTox Substance ID: DTXSID60217511
• Wikidata: Q83094048
• ChEMBL ID: CHEMBL3248195

Synonyms:67205-61-2;Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester;BRN 2604129;4-Cyano-2,3,5,6-tetrachlorophenyl dodecanoate;NSC316468;CHEMBL3248195;DTXSID60217511;NSC 316468;NSC-316468

Chemical Property of Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester

Chemical Property:

• Vapor Pressure: 1.65E-10mmHg at 25°C
• Boiling Point: 509.8°Cat760mmHg
• Flash Point: 262.1°C
• Density: 1.28g/cm³
• XLogP3: 9.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 439.045340
• Heavy Atom Count: 26
• Complexity: 452

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl

Technology Process of Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester

There total 2 articles about Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester 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:

pentachlorobenzonitrile (20925-85-3) → Dodecanoic acid 2,3,5,6-tetrachloro-4-cyano-phenyl ester (67205-61-2)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaOAc, DMF, (ii) aq. HCl

DOI:10.1021/jm00207a013

Reference yield:

n-dodecanoyl chloride (112-16-3) + 4-hydroxytetrachlorobenzonitrile (3336-23-0) → Dodecanoic acid 2,3,5,6-tetrachloro-4-cyano-phenyl ester (67205-61-2)

Guidance literature:

DOI:10.1021/jm00207a013

upstream raw materials:

n-dodecanoyl chloride

4-hydroxytetrachlorobenzonitrile

pentachlorobenzonitrile

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