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3-Fluorobenzoylacetonitrile

Base Information Edit
  • Chemical Name:3-Fluorobenzoylacetonitrile
  • CAS No.:21667-61-8
  • Molecular Formula:C9H6FNO
  • Molecular Weight:163.151
  • Hs Code.:2926909090
  • European Community (EC) Number:675-419-0
  • DSSTox Substance ID:DTXSID90374565
  • Wikidata:Q72479230
  • ChEMBL ID:CHEMBL3251055
  • Mol file:21667-61-8.mol
3-Fluorobenzoylacetonitrile

Synonyms:3-Fluorobenzoylacetonitrile;21667-61-8;3-(3-fluorophenyl)-3-oxopropanenitrile;3-(3-fluoro-phenyl)-3-oxo-propionitrile;MFCD02260777;3-(3'-fluorophenyl)-3-oxopropanenitrile;SCHEMBL1849226;CHEMBL3251055;DTXSID90374565;UNGFCWRGMBVFAS-UHFFFAOYSA-N;AM849;3-Fluoro-ss-oxobenzenepropanenitrile;AKOS000181039;EK-0059;SB35456;3-oxo-3-(3-fluorophenyl)-propanenitrile;Benzenepropanenitrile, 3-fluoro-beta-oxo-;SY026744;A4656;CS-0206091;FT-0604213;EN300-41327;F13581;Z317042100

Suppliers and Price of 3-Fluorobenzoylacetonitrile
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • 3-Fluorobenzoylacetonitrile
  • 10mg
  • $ 45.00
  • SynQuest Laboratories
  • 3-Fluorobenzoylacetonitrile
  • 25 g
  • $ 949.00
  • SynQuest Laboratories
  • 3-Fluorobenzoylacetonitrile
  • 5 g
  • $ 317.00
  • SynQuest Laboratories
  • 3-Fluorobenzoylacetonitrile
  • 1 g
  • $ 143.00
  • Rieke Metals
  • 3-Fluorobenzoylacetonitrile 97%
  • 1g
  • $ 239.00
  • Rieke Metals
  • 3-Fluorobenzoylacetonitrile 97%
  • 2g
  • $ 366.00
  • Rieke Metals
  • 3-FLUOROBENZOYLACETONITRILE
  • 5g
  • $ 1943.00
  • Rieke Metals
  • 3-FLUOROBENZOYLACETONITRILE
  • 1g
  • $ 809.00
  • Rieke Metals
  • 3-Fluorobenzoylacetonitrile 97%
  • 5g
  • $ 744.00
  • Matrix Scientific
  • 3-Fluorobenzoylacetonitrile 97%
  • 5g
  • $ 695.00
Total 32 raw suppliers
Chemical Property of 3-Fluorobenzoylacetonitrile Edit
Chemical Property:
  • Vapor Pressure:0.000878mmHg at 25°C 
  • Melting Point:89-91°C 
  • Refractive Index:1.516 
  • Boiling Point:304.364 °C at 760 mmHg 
  • PKA:7.18±0.10(Predicted) 
  • Flash Point:137.875 °C 
  • PSA:40.86000 
  • Density:1.207 g/cm3 
  • LogP:1.92208 
  • XLogP3:1.7
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:2
  • Exact Mass:163.043341977
  • Heavy Atom Count:12
  • Complexity:218
Purity/Quality:

97% *data from raw suppliers

3-Fluorobenzoylacetonitrile *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
  • Statements: 36/37/38 
  • Safety Statements: 26-36/37/39 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=CC(=CC(=C1)F)C(=O)CC#N
Technology Process of 3-Fluorobenzoylacetonitrile

There total 9 articles about 3-Fluorobenzoylacetonitrile 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:
Guidance literature:
With 4,4'-dimethyl-2,2'-bipyridines; palladium(II) acetylacetonate; toluene-4-sulfonic acid; In water; toluene; at 80 ℃; for 24h; Schlenk technique;
DOI:10.1021/acs.joc.0c02388
Guidance literature:
methyl 3-fluorobenzoate; acetonitrile; With sodium hydride; In toluene; at 90 ℃; for 18h;
With hydrogenchloride; water; pH=5 - 6;
Guidance literature:
With sodium hydride; In toluene; mineral oil; Reflux;
DOI:10.1016/j.tet.2014.08.043
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