Ethyl 2,2,4-trichlorononanoate

Base Information

• Chemical Name: Ethyl 2,2,4-trichlorononanoate
• CAS No.: 68039-28-1
• Molecular Formula: C11H19Cl3O2
• Molecular Weight: 289.63
• European Community (EC) Number: 268-246-3
• DSSTox Substance ID: DTXSID30887104
• Nikkaji Number: J288.955B
• Mol file: 68039-28-1.mol

Synonyms:Ethyl 2,2,4-trichlorononanoate;68039-28-1;Ethyl 2,2,4-trichlorononan-1-oate;Nonanoic acid, 2,2,4-trichloro-, ethyl ester;EINECS 268-246-3;2,2,4-Trichlorononanoic acid ethyl ester;C11H19Cl3O2;DTXSID30887104;C11-H19-Cl3-O2

Chemical Property of Ethyl 2,2,4-trichlorononanoate

Chemical Property:

• Vapor Pressure: 0.000249mmHg at 25°C
• Boiling Point: 324.2°Cat760mmHg
• Flash Point: 114.4°C
• PSA: 26.30000
• Density: 1.167g/cm³
• LogP: 4.30120
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 288.045063
• Heavy Atom Count: 16
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CC(C(=O)OCC)(Cl)Cl)Cl

Technology Process of Ethyl 2,2,4-trichlorononanoate

There total 1 articles about Ethyl 2,2,4-trichlorononanoate 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:

1-Heptene (592-76-7) + Ethyl trichloroacetate (515-84-4) → 2,2,4-trichloro-nonanoic acid ethyl ester (68039-28-1)

Guidance literature:

With dibenzoyl peroxide;

upstream raw materials:

1-Heptene

Ethyl trichloroacetate