1,3-Dichlorotetrafluoroacetone

Base Information

• Chemical Name: 1,3-Dichlorotetrafluoroacetone
• CAS No.: 127-21-9
• Molecular Formula: C3Cl2 F4 O
• Molecular Weight: 198.932
• Hs Code.: 2914700090
• European Community (EC) Number: 204-829-0
• NSC Number: 62662
• DSSTox Substance ID: DTXSID1073159
• Nikkaji Number: J5.389I
• Wikidata: Q82001569
• Mol file: 127-21-9.mol

Synonyms:1,3-dichlorotetrafluoroacetone

Chemical Property of 1,3-Dichlorotetrafluoroacetone

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Melting Point: <100°C
• Refractive Index: 1.33
• Boiling Point: 44.5°Cat760mmHg
• Flash Point: 2°C
• PSA: 17.07000
• Density: 1.66g/cm³
• LogP: 2.21870
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 197.9262327
• Heavy Atom Count: 10
• Complexity: 141

Purity/Quality:

1,3-Dichlorotetrafluoroacetone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25-34-36/37/38-24/25-25
• Safety Statements: 26-36/37/39-45-23

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Ketones
• Canonical SMILES: C(=O)(C(F)(F)Cl)C(F)(F)Cl

Technology Process of 1,3-Dichlorotetrafluoroacetone

There total 4 articles about 1,3-Dichlorotetrafluoroacetone 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: 84.0%

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 antimony pentafluoride; at 60 ℃; for 2h;

DOI:10.1016/S0022-1139(00)80488-1

Reference yield:

1,1,1,3,3,3-hexachloro-propan-2-one (116-16-5) → 1,3-dichloro-1,1,3,3-tetrafluoro-propan-2-one (127-21-9)

Guidance literature:

With zirconium(IV) fluoride; hydrogen fluoride; at 360 ℃;

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;

upstream raw materials:

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

1,1,3-trichloro-1,3,3-trifluoroacetone

Downstream raw materials:

halon-1211

dibromodifluoromethane

polytetrafluoroethylene

chlordifluoroacetyl chloride

Refernces