1,1,1,3-Tetrachloroacetone

Base Information

• Chemical Name: 1,1,1,3-Tetrachloroacetone
• CAS No.: 16995-35-0
• Molecular Formula: C3H2 Cl4 O
• Molecular Weight: 195.86
• Hs Code.: 2914700090
• European Community (EC) Number: 241-075-1
• DSSTox Substance ID: DTXSID6021662
• Nikkaji Number: J318.321A
• Wikidata: Q81983835
• Mol file: 16995-35-0.mol

Synonyms:1,1,1,3-TETRACHLOROACETONE;16995-35-0;1,1,1,3-tetrachloropropan-2-one;1,1,1,3-Tetrachloro-2-propanone;2-Propanone, 1,1,1,3-tetrachloro-;2-Propanone, tetrachloro-;BRN 1756047;EINECS 241-075-1;1,1,1,3-Tetrachloropropanone;C3-H2-Cl4-O;31422-61-4;Tetrachloraceton;SCHEMBL1457226;DTXSID6021662;1,1,1,3-tetrachloro-propan-2-one;AKOS040756991;HY-133629;LS-123179;LS-123180;CS-0128455

Chemical Property of 1,1,1,3-Tetrachloroacetone

Chemical Property:

• Vapor Pressure: 1.4mmHg at 25°C
• Melting Point: 65°C
• Refractive Index: 1.4970 (estimate)
• Boiling Point: 171.4°Cat760mmHg
• Flash Point: 63.8°C
• PSA: 17.07000
• Density: 1.621g/cm³
• LogP: 2.16450
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 195.883025
• Heavy Atom Count: 8
• Complexity: 93.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,1,3-Tetrachloroacetone

There total 14 articles about 1,1,1,3-Tetrachloroacetone 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-trichloroacetone (918-00-3,861255-82-5) → 1,1,1,3-tetrachloro-propan-2-one (16995-35-0) + pentachloroacetone (1768-31-6)

Guidance literature:

With sulfuric acid; chlorine; at 50 ℃; for 8h;

DOI:10.1080/00304940409355973

Reference yield:

chlorine (7782-50-5) + chloroacetone (78-95-5) → 1,1,1,3-tetrachloro-propan-2-one (16995-35-0) + pentachloroacetone (1768-31-6)

Guidance literature:

at 50 - 70 ℃;

Reference yield:

1,1,1-trichloroacetone (918-00-3,861255-82-5) → 1,1,1,3-tetrachloro-propan-2-one (16995-35-0)

Guidance literature:

With sulfuryl dichloride; at 180 ℃;

upstream raw materials:

1,1,1-trichloroacetone

ω-trichlorodiazoacetone

isopropyl alcohol

acetone

Downstream raw materials:

5-(2-phenylethyl)oxazolidin-2-one

chloroform

chloroacetic acid

trichloroacetic acid

Refernces

• 1、 Foehlisch, Baidur,Zinser, Hartmut. "A critical examination of the preparation of polychlorinated acetones". . p. 549 - 572. Retrieved 2007/10/03.