Nonyl trichloroacetate

Base Information

• Chemical Name: Nonyl trichloroacetate
• CAS No.: 65611-32-7
• Molecular Formula: C11H19Cl3O2
• Molecular Weight: 289.6264
• Hs Code.: 2915400090
• NSC Number: 55378
• DSSTox Substance ID: DTXSID70288353
• Wikidata: Q82024720
• Mol file: 65611-32-7.mol

Synonyms:Nonyl trichloroacetate;Trichloroacetic acid, nonyl ester;65611-32-7;Acetic acid, trichloro-, nonyl ester;Nonyl trichloroacetate #;NCIOpen2_002230;DTXSID70288353;KZFXYGVHWVJDHZ-UHFFFAOYSA-N;NSC55378;NSC-55378

Chemical Property of Nonyl trichloroacetate

Chemical Property:

• Vapor Pressure: 0.0039mmHg at 25°C
• Boiling Point: 279.9°Cat760mmHg
• Flash Point: 89.1°C
• PSA: 26.30000
• Density: 1.168g/cm³
• LogP: 4.65040
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 288.045063
• Heavy Atom Count: 16
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCOC(=O)C(Cl)(Cl)Cl

Technology Process of Nonyl trichloroacetate

There total 3 articles about Nonyl trichloroacetate 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:

trifluoroacetyl chloride (76-02-8) + nonyl alcohol (143-08-8) → nonyl trichloroacetate (65611-32-7)

Guidance literature:

With pyridine; at 90 ℃; overnight;

DOI:10.1021/ac00261a053

Reference yield:

nonyl alcohol (143-08-8) + trichloroacetic acid (76-03-9) → nonyl trichloroacetate (65611-32-7)

Guidance literature:

In benzene;

DOI:10.1016/0022-2860(88)87005-4

Reference yield:

1,1,1,3,3,3-hexachloro-propan-2-one (116-16-5) + nonyl alcohol (143-08-8) → nonyl trichloroacetate (65611-32-7)

Guidance literature:

With triethylamine;

upstream raw materials:

1,1,1,3,3,3-hexachloro-propan-2-one

nonyl alcohol

trifluoroacetyl chloride

trichloroacetic acid

Refernces

• 1、 Schwartz, Ted R.,Petty, Jimmie D.,Kaiser, Edwin M.. "Preparation of n-Alkyl Trichloroacetates and Their Use as Retention Index Standards in Gas Chromatography". . p. 1839 - 1840. Retrieved 2007/10/02.