4-Fluorophenyl acetate

Base Information

• Chemical Name: 4-Fluorophenyl acetate
• CAS No.: 405-51-6
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 2915390090
• European Community (EC) Number: 609-847-6
• DSSTox Substance ID: DTXSID20193509
• Nikkaji Number: J270.064F
• ChEMBL ID: CHEMBL452652
• Mol file: 405-51-6.mol

Synonyms:4-Fluorophenyl acetate;405-51-6;1-Acetoxy-4-fluorobenzene;(4-fluorophenyl) acetate;Acetic Acid 4-Fluorophenyl Ester;Phenol, 4-fluoro-, acetate;Phenol,4-fluoro-,acetate;MFCD00041361;4-FLUOROPHENYLACETATE;p-fluorophenyl acetate;SCHEMBL660921;CHEMBL452652;4-FLUOROPHENYL ACETATE,;ZNOREXRHKZXVPC-UHFFFAOYSA-;AMY3978;DTXSID20193509;acetic acid-(4-fluoro-phenyl ester);PC0910;AKOS002950984;CS-W018053;SY016072;FT-0604873;FT-0607277;A851742

Chemical Property of 4-Fluorophenyl acetate

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Melting Point: 0ºC
• Refractive Index: n20/D 1.48(lit.)
• Boiling Point: 194.9 °C at 760 mmHg
• Flash Point: 70 °C
• PSA: 26.30000
• Density: 1.174 g/cm³
• LogP: 1.75100
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.04300762
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99.0% ^*data from raw suppliers

4-Fluorophenyl Acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-36
• Safety Statements: 24/25-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)F

Technology Process of 4-Fluorophenyl acetate

There total 19 articles about 4-Fluorophenyl acetate 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: 99.0%

4-Fluorophenol (371-41-5) + acetic anhydride (108-24-7) → 4-fluorophenyl acetate (405-51-6)

Guidance literature:

With silver trifluoromethanesulfonate; at 60 ℃; for 0.0166667h; neat (no solvent);

DOI:10.1055/s-0030-1259999

Reference yield: 99.0%

4-Fluorophenol (371-41-5) + acetyl chloride (75-36-5) → 4-fluorophenyl acetate (405-51-6)

Guidance literature:

With trifluorormethanesulfonic acid; In acetonitrile; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2010.11.047

Reference yield: 95.4%

4-Fluorophenol (371-41-5) → 4-fluorophenyl acetate (405-51-6)

Guidance literature:

With sodium acetate; acetic anhydride; sodium hydrogencarbonate; In water; benzene;

upstream raw materials:

4-Fluorophenol

acetyl chloride

vinyl acetate

acetic anhydride

Downstream raw materials:

1-(5-fluoro-2-hydroxyphenyl)ethan-1-one

4-fluoro-2,6-dinitrophenol

4-fluoro-4-nitrocyclohexa-2,5-dienone

4-Fluorophenol