1,3-Difluorotetrachloroacetone

Base Information

• Chemical Name: 1,3-Difluorotetrachloroacetone
• CAS No.: 79-51-6
• Molecular Formula: C3Cl4 F2 O
• Molecular Weight: 231.841
• Hs Code.: 2914700090
• NSC Number: 42760
• DSSTox Substance ID: DTXSID20285771
• Wikidata: Q82021267
• Mol file: 79-51-6.mol

Synonyms:1,3-Difluorotetrachloroacetone;79-51-6;1,1,3,3-tetrachloro-1,3-difluoropropan-2-one;NSC42760;sym-DIFLUORO TETRACHLORO ACETONE;Difluorotetrachloroacetone;SCHEMBL2814056;DTXSID20285771;MFCD00018816;NSC-42760;AKOS025310200;FT-0606666;2-Propanone,1,3,3-tetrachloro-1,3-difluoro-;2-Propanone, 1,1,3,3-tetrachloro-1,3-difluoro-;Succinimido(S)-2-[(tert-butoxycarbonyl)amino]propionate

Chemical Property of 1,3-Difluorotetrachloroacetone

Chemical Property:

• Vapor Pressure: 5.13mmHg at 25°C
• Boiling Point: 118-121°C
• Flash Point: 41.1°C
• PSA: 17.07000
• Density: 1.76g/cm³
• LogP: 2.75730
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.864182
• Heavy Atom Count: 10
• Complexity: 141

Purity/Quality:

98%min ^*data from raw suppliers

1,3-Difluorotetrachloroacetone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Difluorotetrachloroacetone

There total 2 articles about 1,3-Difluorotetrachloroacetone 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) → 1,1,3,3-tetrachloro-1,3-difluoro-2-propanone (79-51-6)

Guidance literature:

With antimonypentachloride; antimony(III) fluoride; at 140 ℃;

Reference yield:

→ 1,1,3,3-tetrachloro-1,3-difluoro-2-propanone (79-51-6)

Guidance literature:

K-tert-Butylat, But-1-en (-10grad) -> 1,1-Dimethyl-2-chlor-2-fluor-propan, Gemisch v. 1-Chlor-fluor-2-ethyl-cyclopropan (/BRN= 901110/, /BRN= 901109/);

DOI:10.1021/jo01282a039

Reference yield:

1,1,3,3-tetrachloro-1,3-difluoro-2-propanone (79-51-6) + acetone (67-64-1) → Dichlorofluoromethane (75-43-4) + HCFC-141b (1717-00-6) + trichlorofluoromethane (75-69-4) + 1-chloro-1-fluoroethane (2317-91-1) + 1,1-Dichloroethylene (75-35-4,9002-85-1) + CFC-112a (76-12-0)

Guidance literature:

With propene; sulfur(VI) hexafluoride; for 0.5h; Rate constant; Ambient temperature; Irradiation; also with acetone-d6;

DOI:10.1021/jp9523128

upstream raw materials:

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

Downstream raw materials:

dichlorofluoroacetic acid

fluoroformyl chloride

chlorodifluoronitrosomethane

1,3-Difluor-1,1,3,3,-tetrachlor-aceton-hydrat