Cas no 837365-04-5 (2,4,5-Trifluoropyridine)

2,4,5-Trifluoropyridine structure
2,4,5-Trifluoropyridine structure
Product Name:2,4,5-Trifluoropyridine
CAS No:837365-04-5
MF:C5H2F3N
MW:133.071291446686
MDL:MFCD04973021
CID:716200
PubChem ID:12175815
Update Time:2024-10-26

2,4,5-Trifluoropyridine Chemical and Physical Properties

Names and Identifiers

    • 2,4,5-Trifluoropyridine
    • 2,4,5-trifluorpyridine
    • Pyridine,2,4,5-trifluoro-
    • 2,4,5-Trifluoro-pyridine
    • Pyridine,2,4,5-trifluoro
    • 2,4,5-Trifluoropyridine (ACI)
    • AKOS006295183
    • MFCD04973021
    • 837365-04-5
    • EN300-7432269
    • DB-082025
    • Pyridine, 2,4,5-trifluoro-
    • F93538
    • DTXSID90479266
    • SB53693
    • CS-0259887
    • BY-6000
    • SCHEMBL8630999
    • MDL： MFCD04973021
    • Inchi： 1S/C5H2F3N/c6-3-1-5(8)9-2-4(3)7/h1-2H
    • InChI Key： SNSQDAAIMIVWAR-UHFFFAOYSA-N
    • SMILES： FC1C=C(F)C(F)=CN=1

Computed Properties

  • Exact Mass: 133.01400
  • Monoisotopic Mass: 133.01393355g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 98.2
  • 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: 1.5
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89000
  • LogP: 1.49890

2,4,5-Trifluoropyridine Pricemore >>

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2,4,5-Trifluoropyridine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Tetrabutylammonium fluoride
1.2 Reagents: Hydrazine
1.3 Reagents: Copper sulfate
Reference
Rerouting Nucleophilic Substitution from the 4-Position to the 2- or 6-Position of 2,4-Dihalopyridines and 2,4,6-Trihalopyridines: The Solution to a Long-Standing Problem
Schlosser, Manfred; et al, Organic Letters, 2005, 7(1), 127-129

Production Method 2

Reaction Conditions
1.1 Reagents: Diisopropylamine ,  Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  45 min, -75 °C
2.1 Reagents: Hydrazine Solvents: Tetrahydrofuran ;  2 h, 0 °C
3.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  2 h, 25 °C
3.2 Reagents: Copper sulfate Solvents: Water ;  45 min, reflux
Reference
Removal of fluorine from and introduction of fluorine into polyhalopyridines: an exercise in nucleophilic hetarenic substitution
Bobbio, Carla; et al, Chemistry - A European Journal, 2005, 11(6), 1903-1910

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrazine Solvents: Tetrahydrofuran ;  2 h, 0 °C
1.2 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  2 h, 25 °C
1.3 Reagents: Copper sulfate Solvents: Water ;  45 min, reflux
Reference
Regiochemically flexible substitutions of di-, tri-, and tetrahalopyridines: the trialkylsilyl trick
Schlosser, Manfred; et al, Journal of Organic Chemistry, 2005, 70(7), 2494-2502

Production Method 4

Reaction Conditions
1.1 Reagents: Hydrazine Solvents: Tetrahydrofuran ;  2 h, 0 °C
2.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  2 h, 25 °C
2.2 Reagents: Copper sulfate Solvents: Water ;  45 min, reflux
Reference
Removal of fluorine from and introduction of fluorine into polyhalopyridines: an exercise in nucleophilic hetarenic substitution
Bobbio, Carla; et al, Chemistry - A European Journal, 2005, 11(6), 1903-1910

Production Method 5

Reaction Conditions
1.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  2 h, 25 °C
1.2 Reagents: Copper sulfate Solvents: Water ;  45 min, reflux
Reference
Removal of fluorine from and introduction of fluorine into polyhalopyridines: an exercise in nucleophilic hetarenic substitution
Bobbio, Carla; et al, Chemistry - A European Journal, 2005, 11(6), 1903-1910

Production Method 6

Reaction Conditions
1.1 Reagents: Diisopropylamine ,  Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  45 min, -75 °C
2.1 Reagents: Hydrazine Solvents: Tetrahydrofuran ;  2 h, 0 °C
2.2 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  2 h, 25 °C
2.3 Reagents: Copper sulfate Solvents: Water ;  45 min, reflux
Reference
Regiochemically flexible substitutions of di-, tri-, and tetrahalopyridines: the trialkylsilyl trick
Schlosser, Manfred; et al, Journal of Organic Chemistry, 2005, 70(7), 2494-2502

Production Method 7

Reaction Conditions
1.1 Reagents: Ammonium formate Catalysts: Palladium Solvents: 1-Octanol ;  6 h, 25 °C
2.1 Reagents: Diisopropylamine ,  Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  45 min, -75 °C
3.1 Reagents: Hydrazine Solvents: Tetrahydrofuran ;  2 h, 0 °C
4.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  2 h, 25 °C
4.2 Reagents: Copper sulfate Solvents: Water ;  45 min, reflux
Reference
Removal of fluorine from and introduction of fluorine into polyhalopyridines: an exercise in nucleophilic hetarenic substitution
Bobbio, Carla; et al, Chemistry - A European Journal, 2005, 11(6), 1903-1910

2,4,5-Trifluoropyridine Raw materials

2,4,5-Trifluoropyridine Preparation Products

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