Methyl fluoroacetate

Base Information

• Chemical Name: Methyl fluoroacetate
• CAS No.: 453-18-9
• Molecular Formula: C3H5FO2
• Molecular Weight: 92.0699
• Hs Code.: 2915900090
• European Community (EC) Number: 207-218-7
• UNII: MO8U9H1FAS
• DSSTox Substance ID: DTXSID3073185
• Nikkaji Number: J86.211H
• Wikipedia: Methyl_fluoroacetate
• Wikidata: Q15633283
• Mol file: 453-18-9.mol

Synonyms:Methyl fluoroacetate;453-18-9;methyl 2-fluoroacetate;Fluoroacetic Acid Methyl Ester;Fluoroacetic acid, methyl ester;ACETIC ACID, FLUORO-, METHYL ESTER;METHYLFLUOROACETATE;TL 551;Methylester kyseliny fluoroctove;EINECS 207-218-7;UNII-MO8U9H1FAS;MO8U9H1FAS;BRN 1740631;Fluoracetic acid methyl ester;Methylester kyseliny fluoroctove [Czech];C3H5FO2;2-Fluoro-1-methoxyethan-1-one;DTXSID3073185;HSDB 8462;AC-590;BBL100478;MFCD00040096;STL554272;AKOS005254621;FLUOROACETIC ACID METHYL ESTER [MI];AM20100155;F0183;FT-0600020;ACETIC ACID, 2-FLUORO-, METHYL ESTER;F11448;J-522602;Q15633283

Chemical Property of Methyl fluoroacetate

Chemical Property:

• Appearance/Colour: Colorless, transparent liquid
• Vapor Pressure: 0.000941mmHg at 25°C
• Melting Point: -40 °C
• Refractive Index: 1.517
• Boiling Point: 104.5 °C at 760 mmHg
• Flash Point: 17.6 °C
• PSA: 26.30000
• Density: 1.17 g/cm³
• LogP: 0.12890
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 92.02735756
• Heavy Atom Count: 6
• Complexity: 52.8

Purity/Quality:

99% ^*data from raw suppliers

MethylFluoroacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 10-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CF
• Uses: Methyl fluoroacetate is a colorless and transparent liquid, which can be used as an intermediate for medicine, pesticide and dyestuff.

Technology Process of Methyl fluoroacetate

There total 13 articles about Methyl fluoroacetate 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: 81.0%

Methyl fluoroiodoacetate (181224-33-9) → methyl fluoroacetate (453-18-9) + Propionic acid 1-fluoro-2-(4-iodomethyl-tetrahydro-furan-3-yl)-ethyl ester

Guidance literature:

With Allyl ether; iron; In tetrahydrofuran; for 13h; Heating;

DOI:10.1039/P19960001741

Reference yield: 79.0%

methyl chloroacetate (96-34-4) → methyl fluoroacetate (453-18-9)

Guidance literature:

With potassium fluoride; tetrabutylammomium bromide; for 1.25h; Heating;

DOI:10.1016/0022-1139(95)03226-4

Reference yield:

acrylonitrile (107-13-1,25014-41-9) + Methyl fluoroiodoacetate (181224-33-9) → methyl fluoroacetate (453-18-9) + 4-Cyano-2-fluoro-butyric acid methyl ester

Guidance literature:

With [2,2]bipyridinyl; chromium chloride; iron; In methanol; at 70 - 80 ℃; for 10h;

DOI:10.1039/P19960001741

upstream raw materials:

methanol

fluoroacetamide

methyl 2-iodoacetate

methyl chloroacetate

Downstream raw materials:

1,2,2-triphenyl-1-ethanol

2-fluoro-1,1-diphenylethan-1-ol

dimethyl α,α'-difluorosuccinate

2-fluoroethanol

Refernces

• 1、 Tormena, Claudio F.,Rittner, Roberto,Abraham, Raymond J.,Basso, Ernani A.,Pontes, Rodrigo M.. "Conformational analysis. Part 33. An NMR, solvation and theoretical investigation of conformational isomerism in N,N-dimethylfluoroacetamide and N,N-dimethyl-α-fluoropropionamide". . p. 2054 - 2059. Retrieved 2007/10/03.
• 2、 Bhadury, Pinaki S.,Pandey, Mamta,Jaiswal, Devendra K.. "A facile synthesis of organofluorine compounds using a semi-molten mixture of tetrabutylammonium bromide and an alkali metal fluoride". . p. 185 - 188. Retrieved 2007/10/02.