Kelthane acetate

Base Information

• Chemical Name: Kelthane acetate
• CAS No.: 3567-16-6
• Molecular Formula: C16H11 Cl5 O2
• Molecular Weight: 412.527
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID50189172
• Nikkaji Number: J120.879I
• Wikidata: Q83061140
• Mol file: 3567-16-6.mol

Synonyms:Kelthane acetate;3567-16-6;[2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethyl] acetate;Benzenemethanol, 4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)-, acetate;DTXSID50189172;FQRHPPJYVGGBMR-UHFFFAOYSA-N;Benzhydrol, 4,4'-dichloro-.alpha.-(trichloromethyl)-, acetate;4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol acetate;AKOS040752247;Benzenemethanol, 4-chloro-.alpha.-(4-chlorophenyl)-.alpha.-(trichloroethyl)-, acetate;1,1-bis(p-chlorophenyl)-2,2,2-trichloroethyl acetate;2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethyl acetate #;4-Chloro-.alpha.-(4-chlorophenyl)-.alpha.-(trichloromethyl)benzenemethanol acetate

Chemical Property of Kelthane acetate

Chemical Property:

• Vapor Pressure: 4.48E-10mmHg at 25°C
• Boiling Point: 498.6°Cat760mmHg
• Flash Point: 185.9°C
• PSA: 26.30000
• Density: 1.469g/cm³
• LogP: 6.17030
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 411.917218
• Heavy Atom Count: 23
• Complexity: 385

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl

Technology Process of Kelthane acetate

There total 1 articles about Kelthane acetate 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:

1,1,1,2-tetrachloro-2,2-bis-(4-chloro-phenyl)-ethane (3563-45-9) + silver(I) acetate (563-63-3) → 1-acetoxy-2,2,2-trichloro-1,1-bis-(4-chloro-phenyl)-ethane (3567-16-6)

Guidance literature:

With acetic acid;

DOI:10.1021/jo01103a018

Reference yield:

1-acetoxy-2,2,2-trichloro-1,1-bis-(4-chloro-phenyl)-ethane (3567-16-6) → Dicofol (115-32-2)

Guidance literature:

With sulfuric acid; acetic acid;

DOI:10.1021/jo01103a018

upstream raw materials:

1,1,1,2-tetrachloro-2,2-bis-(4-chloro-phenyl)-ethane

silver(I) acetate

Downstream raw materials:

Dicofol