1,1,3-Trichlorotrifluoroacetone

Base Information

• Chemical Name: 1,1,3-Trichlorotrifluoroacetone
• CAS No.: 79-52-7
• Molecular Formula: C3Cl3F3O
• Molecular Weight: 215.387
• Hs Code.: 2914700090
• NSC Number: 73469
• DSSTox Substance ID: DTXSID70229488
• Nikkaji Number: J51.030K
• Wikidata: Q83109768
• Mol file: 79-52-7.mol

Synonyms:1,1,3-Trichlorotrifluoroacetone;79-52-7;1,1,3-Trichloro-1,3,3-trifluoroacetone;1,1,3-trichloro-1,3,3-trifluoropropan-2-one;Acetone, 1,1,3-trichloro-1,3,3-trifluoro-;1,1,3-Trichloro-1,3,3-trifluoro-2-propanone;2-Propanone, 1,1,3-trichloro-1,3,3-trifluoro-;3FK;1,1,3-Trifluoro-1,3,3-trichloroacetone;NSC 73469;BRN 1707474;WLN: GXFGVXGFF;C3Cl3F3O;2-Propanone,1,1,3-trichloro-1,3,3-trifluoro-;1,3-Trichlorotrifluoroacetone;SCHEMBL688151;DTXSID70229488;NSC73469;MFCD00039321;NSC-73469;AKOS025310199;1,3-Trifluoro-1,3,3-trichloroacetone;Acetone,1,3-trichloro-1,3,3-trifluoro-;LS-123198;FT-0606010;1,3-Trichloro-1,3,3-trifluoro-2-propanone;2-Propanone,1,3-trichloro-1,3,3-trifluoro-;A839704;1,1,3-tris(chloranyl)-1,3,3-tris(fluoranyl)propan-2-one

Chemical Property of 1,1,3-Trichlorotrifluoroacetone

Chemical Property:

• Vapor Pressure: 21.2mmHg at 25°C
• Melting Point: <-78oC
• Refractive Index: 1.386
• Boiling Point: 113 °C at 760 mmHg
• Flash Point: 22.1 °C
• PSA: 17.07000
• Density: 1.712 g/cm³
• LogP: 2.48800
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 213.896682
• Heavy Atom Count: 10
• Complexity: 157

Purity/Quality:

98%min ^*data from raw suppliers

1,1,3-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)Cl)C(F)(Cl)Cl

Technology Process of 1,1,3-Trichlorotrifluoroacetone

There total 2 articles about 1,1,3-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:

1,1,1,3,3,3-hexachloro-propan-2-one (116-16-5) → 1,1,3-trichloro-1,3,3-trifluoroacetone (79-52-7) + 1,3-dichloro-1,1,3,3-tetrafluoro-propan-2-one (127-21-9)

Guidance literature:

With hydrogen fluoride; antimonypentachloride;

Reference yield:

Tributyl-(1,3-dichloro-1,3,3-trifluoro-2-oxo-propyl)-phosphonium; chloride → 1,1,3-trichloro-1,3,3-trifluoroacetone (79-52-7) + phosphorane, tributyldichloro-dichloro-tributyl-phosphorane (17417-07-1)

Guidance literature:

With chlorine; from 0 degC to room temp.;

DOI:10.1016/S0040-4039(00)83859-9

Reference yield: 100.0%

1,1,3-trichloro-1,3,3-trifluoroacetone (79-52-7) + 1,1-diphenyl-N-(tributylstannyl)methanimine (34982-42-8) → (C4H9)3SnOC(CF2Cl)(CFCl2)CN(C6H5)2 (34982-58-6)

Guidance literature:

DOI:10.1039/P19720000130

upstream raw materials:

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

Downstream raw materials:

2-chloro-2,2-difluoroacetic acid

1,1,1,3-tetrachloro-3,3-difluoro-propan-2-one

1,3-dichloro-1,1,3,3-tetrafluoro-propan-2-one

1,1,3-Trichlorperfluor-2-phenylpropan-2-ol

Refernces