Cas no 847225-56-3 (4-fluoropyridine-2-carbonitrile)

4-fluoropyridine-2-carbonitrile structure
847225-56-3 structure
Product Name:4-fluoropyridine-2-carbonitrile
CAS No:847225-56-3
MF:C6H3FN2
MW:122.09982419014
MDL:MFCD09834127
CID:720184
PubChem ID:11205746
Update Time:2024-10-26

4-fluoropyridine-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Fluoropicolinonitrile
    • 2-Cyano-4-fluoropyridine
    • 4-fluoropyridine-2-carbonitrile
    • 2-Pyridinecarbonitrile,4-fluoro
    • 4-fluoranylpyridine-2-carbonitrile
    • 4-fluoro-2-pyridinecarbonitrile
    • 4-Fluoro-2-pyridinecarbonitrile (ACI)
    • 4-fluoro-2-cyano pyridine
    • CS-0060702
    • AB52749
    • FT-0646598
    • AKOS005063484
    • SY035898
    • DTXSID80458606
    • SCHEMBL1613549
    • A840899
    • EN300-123799
    • MFCD09834127
    • Y10492
    • NIKWVAPXRQHXHR-UHFFFAOYSA-N
    • 847225-56-3
    • DS-11187
    • 2-Pyridinecarbonitrile, 4-fluoro-
    • J-515424
    • BBL102315
    • DB-081860
    • STL556114
    • MDL: MFCD09834127
    • Inchi: 1S/C6H3FN2/c7-5-1-2-9-6(3-5)4-8/h1-3H
    • InChI Key: NIKWVAPXRQHXHR-UHFFFAOYSA-N
    • SMILES: FC1C=CN=C(C#N)C=1

Computed Properties

  • Exact Mass: 122.02800
  • Monoisotopic Mass: 122.02802627g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 137
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • Density: 1.24
  • Melting Point: 72-74℃
  • Boiling Point: 221.3 ℃ at 760 mmHg
  • Flash Point: 88℃
  • Refractive Index: 1.509
  • PSA: 36.68000
  • LogP: 1.09238

4-fluoropyridine-2-carbonitrile Pricemore >>

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4-fluoropyridine-2-carbonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Tetrabutylammonium fluoride Solvents: Dimethyl sulfoxide ;  10 min
Reference
Microwave-accelerated fluorodenitrations and nitrodehalogenations: expeditious routes to labeled PET ligands and fluoropharmaceuticals
La Beaume, Paul; Placzek, Michael; Daniels, Mathew; Kendrick, Ian; Ng, Patrick; et al, Tetrahedron Letters, 2010, 51(14), 1906-1909

Production Method 2

Reaction Conditions
1.1 Reagents: Tetrabutylammonium fluoride Solvents: Dimethylformamide ,  Tetrahydrofuran ;  15 min, 23 °C
1.2 Reagents: Sodium chloride Solvents: Water ;  23 °C
Reference
Tetrabutylammonium salt induced denitration of nitropyridines: synthesis of fluoro-, hydroxy-, and methoxypyridines
Kuduk, Scott D.; DiPardo, Robert M.; Bock, Mark G., Organic Letters, 2005, 7(4), 577-579

4-fluoropyridine-2-carbonitrile Raw materials

4-fluoropyridine-2-carbonitrile Preparation Products

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