Fluoroacetone

Base Information

• Chemical Name: Fluoroacetone
• CAS No.: 430-51-3
• Molecular Formula: C3H5 F O
• Molecular Weight: 76.0705
• Hs Code.: 29147000
• European Community (EC) Number: 207-064-0
• NSC Number: 21302
• UNII: 735L3MV2UG
• DSSTox Substance ID: DTXSID70195619
• Nikkaji Number: J50G
• Wikipedia: Fluoroacetone
• Wikidata: Q18511586
• Mol file: 430-51-3.mol

Synonyms:fluoroacetone

Chemical Property of Fluoroacetone

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 107mmHg at 25°C
• Refractive Index: n20/D 1.37(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 17.07000
• Density: g/cm³
• LogP: 0.54490
• Storage Temp.: Refrigerator (+4°C) + Flammables area
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 76.032442941
• Heavy Atom Count: 5
• Complexity: 42.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

Fluoroacetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T+,T
• Hazard Codes: F,T+,T
• Statements: 11-26/27/28
• Safety Statements: 16-36-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Other Toxic Gases & Vapors
• Canonical SMILES: CC(=O)CF
• Uses: Fluoroacetone has been used as a catalyst to study the kinetics of the ketone-catalysed decomposition of peroxymonosulfuric acid (Caro′s acid).

Technology Process of Fluoroacetone

There total 19 articles about Fluoroacetone 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: 95.4%

3,3-dichloro-1,1,1-trifluoroacetone (126266-75-9) → 3-chloro-1,1,1-trifluoroacetone (431-37-8) + 1-fluoro-2-propanone (430-51-3) + 1,1-difluoroacetone (431-05-0) + 1,1,1-trifluoro-2-propanone (421-50-1) + acetone (67-64-1)

Guidance literature:

With hydrogen; 0.5% platinum/activated carbon; at 110 ℃; for 1 - 5h; Gas phase;

Reference yield: 90.0%

1-bromoacetone (598-31-2) → 1-fluoro-2-propanone (430-51-3)

Guidance literature:

With triethylamine tris(hydrogen fluoride); at 110 - 115 ℃; under 195.02 - 202.5 Torr;

DOI:10.1016/S0022-1139(00)81775-3

Reference yield: 60.2%

ethyl 4-fluoro-3-oxo-butanoate (372-37-2) → 1-fluoro-2-propanone (430-51-3)

Guidance literature:

With sulfuric acid; acetic acid; at -5 - 110 ℃;

upstream raw materials:

diazomethane

acetyl fluoride

diazoacetone

1-fluoropropan-2-ol

Downstream raw materials:

(Z)-fluoroacetone O-benzyloxime

(E)-fluoroacetone O-benzyloxime

1,1-dimethylethyl 4-fluoro-3-hydroxy-3-methyl-2-(phenylmethoxy)butanoate

fluoroacetone (S)-(-)-(1-methoxy-3-phenylprop-2-yl)imine

Refernces

• 1、 Ray,Sarkar,Ray. "-". . p. 749. Retrieved 1933.
• 2、 Mattingly, Stephanie J.,Wuest, Frank,Schirrmacher, Ralf. "Synthesis of 2-Fluoroacetoacetic Acid and 4-Fluoro-3-hydroxybutyric Acid". . p. 2351 - 2358. Retrieved 2019/05/24.
• 3、 Maggiotti,Bahmanyar,Reiter,Resmini,Houk,Gouverneur. "Unusual reversal of regioselectivity in antibody-mediated aldol additions with unsymmetrical methyl ketones". . p. 619 - 632. Retrieved 2007/10/03.