1,1,1-Trichlorotrifluoroacetone

Base Information

• Chemical Name: 1,1,1-Trichlorotrifluoroacetone
• CAS No.: 758-42-9
• Molecular Formula: C3Cl3F3O
• Molecular Weight: 215.387
• Hs Code.: 2914700090
• European Community (EC) Number: 212-063-3
• DSSTox Substance ID: DTXSID50226713
• Nikkaji Number: J193.120B
• Mol file: 758-42-9.mol

Synonyms:1,1,1-Trichlorotrifluoroacetone;758-42-9;1,1,1-Trichloro-3,3,3-trifluoroacetone;1,1,1-trichloro-3,3,3-trifluoropropan-2-one;trichlorotrifluoroacetone;EINECS 212-063-3;1,1,1-Trichloro-3,3,3-trifluoro-2-propanone;MFCD00042128;SCHEMBL2275880;DTXSID50226713;AKOS015848703;BS-25962;LS-123197;CS-0211419;FT-0605940;2-Propanone, 1,1,1-trichloro-3,3,3-trifluoro-

Chemical Property of 1,1,1-Trichlorotrifluoroacetone

Chemical Property:

• Vapor Pressure: 1.46mmHg at 25°C
• Refractive Index: 1.381
• Boiling Point: 162.9 °C at 760 mmHg
• Flash Point: 87.2 °C
• PSA: 17.07000
• Density: 1.498 g/cm³
• LogP: 2.48800
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 213.896682
• Heavy Atom Count: 10
• Complexity: 146

Purity/Quality:

98%min ^*data from raw suppliers

1,1,1-Trichlorotrifluoroacetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,1-Trichlorotrifluoroacetone

There total 5 articles about 1,1,1-Trichlorotrifluoroacetone 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: 95.0%

3,3-dichloro-1,1,1-trifluoroacetone (126266-75-9) → 1,1,1-trichloro-3,3,3-trifluoro-propan-2-one (758-42-9)

Guidance literature:

With quinoline; chlorine; at 70 ℃;

DOI:10.1016/j.jfluchem.2003.11.030

Reference yield:

chloropentafluoroacetone (79-53-8) → 1,1,1-trichloro-3,3,3-trifluoro-propan-2-one (758-42-9)

Guidance literature:

With aluminium trichloride; Heating;

DOI:10.1021/jo00837a644

Reference yield:

1,1,1-trichloro-2-ethoxy-3,3,3-trifluoro-propan-2-ol → 1,1,1-trichloro-3,3,3-trifluoro-propan-2-one (758-42-9)

Guidance literature:

With sulfuric acid; Heating;

DOI:10.1016/j.jfluchem.2003.11.008

upstream raw materials:

chloropentafluoroacetone

trifluoracetyl chloride

phenyl(bromodichloromethyl)mercury

3,3-dichloro-1,1,1-trifluoroacetone

Downstream raw materials:

trifluoroacetic acid

N-(trifluoroacetyl)-DL-phenylalanine

N-trifluoroacetyl-L-phenylalanine

1,1,1-trifluoro-2-propanone

Refernces

• 1、 Zeifman, Yu.V.,Postovoi. "Reductive alkylation of perfluorocarboxylic acid esters with CCl 3F or CCl4 and synthesis of higher linear perfluoroketones". . p. 1815 - 1819. Retrieved 2007/10/03.