Difluoromalonyl fluoride

Base Information

• Chemical Name: Difluoromalonyl fluoride
• CAS No.: 5930-67-6
• Molecular Formula: C3F4O2
• Molecular Weight: 144.025
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID50378882
• Nikkaji Number: J513.688A
• Wikidata: Q82168466
• Mol file: 5930-67-6.mol

Synonyms:DIFLUOROMALONYL FLUORIDE;5930-67-6;Difluoromalonyl difluoride;2,2-difluoropropanedioyl Difluoride;difluoropropanedioyl difluoride;Tetrafluoro-1,3-propanedione;CF2(COF)2;2,2-difluoromalonyl difluoride;DIFLUOROMALONOYL FLUORIDE;SCHEMBL4290490;DTXSID50378882;MFCD03094111;AKOS005173376;FT-0676813

Chemical Property of Difluoromalonyl fluoride

Chemical Property:

• Vapor Pressure: 35.6mmHg at 25°C
• Refractive Index: 1.282
• Boiling Point: 101.1 °C at 760 mmHg
• Flash Point: 29.5 °C
• PSA: 34.14000
• Density: 1.529 g/cm³
• LogP: 0.61390
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 143.98344189
• Heavy Atom Count: 9
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

Difluoromalonoyl fluoride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,T
• Hazard Codes: C,T
• Statements: 23-34
• Safety Statements: 23-38

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Difluoromalonyl fluoride

There total 2 articles about Difluoromalonyl fluoride 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:

trichloro-acetic acid-(3-hydroxy-propyl ester) (7297-44-1) → freon-218 (76-19-7) + trichlorofluoromethane (75-69-4) + trifluoroacetyl fluoride (354-34-7) + difluoromalonyl difluoride (5930-67-6)

Guidance literature:

With fluorine; sodium fluoride; Further byproducts given;

DOI:10.1021/jo01340a010

Reference yield:

pentafluoroallyl fluorosulfate oxide (124694-95-7) → Carbonyl fluoride (353-50-4) + perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) + difluoromalonyl difluoride (5930-67-6)

Guidance literature:

With potassium fluoride; ethylene glycol; In acetonitrile; at 81 ℃; Inert atmosphere;

DOI:10.1134/S1070427209030197

Reference yield:

HSbF6 + difluoromalonyl difluoride (5930-67-6) + Methyl fluoroformyldifluoroacetate (69116-71-8) → dimethyl 2,2-difluoro-malonate (379-95-3)

Guidance literature:

With fluorosulphonic acid;

upstream raw materials:

trichloro-acetic acid-(3-hydroxy-propyl ester)

pentafluoroallyl fluorosulfate oxide

Downstream raw materials:

dimethyl 3-oxaperfluorohexanedioate

dimethyl 2,2-difluoro-malonate

Refernces