Cas no 84476-99-3 (2,5-Difluoropyridine)

2,5-Difluoropyridine structure
2,5-Difluoropyridine structure
Product Name:2,5-Difluoropyridine
CAS No:84476-99-3
MF:C5H3F2N
MW:115.080827951431
MDL:MFCD04114191
CID:60703
PubChem ID:2762871
Update Time:2024-10-26

2,5-Difluoropyridine Chemical and Physical Properties

Names and Identifiers

    • 2,5-Difluoropyridine
    • 2,4-DIFLUOROPHENYL ISOTHIOCYANATE
    • 2,5-difluoro-pyridine
    • Pyridine,2,5-difluoro
    • Pyridine, 2,5-difluoro-
    • 2,5-Difluorpyridin
    • PubChem14398
    • Pyridine,2,5-difluoro-
    • 2,5-bis(fluoranyl)pyridine
    • KSC652G9R
    • XFAMUOYNXFXQTC-UHFFFAOYSA-N
    • BH355
    • 2,5-Difluoropyridine, AldrichCPR
    • STL554749
    • BBL100955
    • TRA0057948
    • LS20951
    • AS04727
    • SY005276
    • 2,5-Difluoropyridine (ACI)
    • MFCD04114191
    • EN300-98298
    • D4174
    • SCHEMBL415945
    • 84476-99-3
    • AKOS005063482
    • A840800
    • 2,5-Difluoropyridine, 97%
    • CS-W003160
    • AC-6251
    • J-507345
    • DTXSID30376528
    • DB-005872
    • PS-9232
    • MDL： MFCD04114191
    • Inchi： 1S/C5H3F2N/c6-4-1-2-5(7)8-3-4/h1-3H
    • InChI Key： XFAMUOYNXFXQTC-UHFFFAOYSA-N
    • SMILES： FC1C=CC(F)=CN=1

Computed Properties

  • Exact Mass: 115.02300
  • Monoisotopic Mass: 115.023
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 76.8
  • 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
  • Topological Polar Surface Area: 12.9
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.274?g/mL?at 25?°C
  • Melting Point: -33°C(lit.)
  • Boiling Point: 115°C(lit.)
  • Flash Point: Fahrenheit: 75.2 ° f
    Celsius: 24 ° c
  • Refractive Index: n20/D 1.445
  • PSA: 12.89000
  • LogP: 1.35980

2,5-Difluoropyridine Security Information

  • Symbol: GHS02 GHS07
  • Prompt：warning
  • Signal Word：Warning
  • Hazard Statement： H226,H315,H319,H335
  • Warning Statement： P261,P305+P351+P338
  • Hazardous Material transportation number：UN 1993C 3 / PGIII
  • WGK Germany：3
  • Hazard Category Code： 10-36/37/38
  • Safety Instruction： 16-26-36/37/39
  • Hazardous Material Identification： Xi
  • HazardClass：3
  • PackingGroup：III
  • Storage Condition：Store long-term at 2-8°C

2,5-Difluoropyridine Customs Data

  • HS CODE：2933399090
  • Customs Data：

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2,5-Difluoropyridine Pricemore >>

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2,5-Difluoropyridine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Ammonium formate Catalysts: Palladium Solvents: Acetic acid ,  Water ;  2 h, 25 °C
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 2

Reaction Conditions
Reference
Fluorinations with potassium tetrafluorocobaltate(III). Part VII. Further investigations on the fluorination of pyridine
Coe, Paul L.; et al, Journal of Fluorine Chemistry, 1982, 21(2), 171-89

Production Method 3

Reaction Conditions
Reference
Fluorinations with complex metal fluorides. Part 6. Fluorination of pyridine and related compounds with cesium tetrafluorocobaltate(III)
Plevey, Raymond G.; et al, Journal of Fluorine Chemistry, 1982, 21(2), 159-69

Production Method 4

Reaction Conditions
1.1 Reagents: Hydrazine hydrate (1:1) Solvents: Ethanol ;  20 h, -5 °C
2.1 Reagents: Sodium hydroxide 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: Sodium borohydride Solvents: Ethanol ;  1.25 h, -10 °C → 0 °C
2.1 Reagents: Hydrazine hydrate (1:1) Solvents: Ethanol ;  20 h, -5 °C
3.1 Reagents: Sodium hydroxide 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: Triethylsilane Catalysts: (OC-6-43)-[1,3-Bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylide… Solvents: Tetrahydrofuran ;  28 h, 343 K
2.1 Reagents: Triethylsilane Catalysts: (OC-6-43)-[1,3-Bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylide… Solvents: Tetrahydrofuran ;  3 d, 343 K
Reference
Mechanistic Study of Ru-NHC-Catalyzed Hydrodefluorination of Fluoropyridines: The Influence of the NHC on the Regioselectivity of C-F Activation and Chemoselectivity of C-F versus C-H Bond Cleavage
McKay, David; et al, ACS Catalysis, 2015, 5(2), 776-787

Production Method 7

Reaction Conditions
1.1 Reagents: Triethylsilane Catalysts: Di-μ-hydrobis[1,1′-(1,3-propanediyl)bis[1,1-bis(1-methylethyl)phosphine-κP]]dirh… Solvents: Benzene-d6 ;  48 h, rt → 50 °C
Reference
Catalytic hydrodefluorination of fluoroaromatics with silanes as hydrogen source at a binuclear rhodium complex: Characterization of key intermediates
Zamostna, Lada; et al, Journal of Fluorine Chemistry, 2013, 155, 132-142

Production Method 8

Reaction Conditions
1.1 Solvents: Toluene-d8 ;  2 h, rt
2.1 Solvents: Toluene ;  3 d, rt
3.1 Reagents: Triethylsilane Catalysts: Di-μ-hydrobis[1,1′-(1,3-propanediyl)bis[1,1-bis(1-methylethyl)phosphine-κP]]dirh… Solvents: Benzene-d6 ;  48 h, rt → 50 °C
Reference
Catalytic hydrodefluorination of fluoroaromatics with silanes as hydrogen source at a binuclear rhodium complex: Characterization of key intermediates
Zamostna, Lada; et al, Journal of Fluorine Chemistry, 2013, 155, 132-142

Production Method 9

Reaction Conditions
1.1 Solvents: Toluene-d8 ;  8 h, rt → 50 °C
2.1 Solvents: Toluene ;  3 d, rt
3.1 Reagents: Triethylsilane Catalysts: Di-μ-hydrobis[1,1′-(1,3-propanediyl)bis[1,1-bis(1-methylethyl)phosphine-κP]]dirh… Solvents: Benzene-d6 ;  48 h, rt → 50 °C
Reference
Catalytic hydrodefluorination of fluoroaromatics with silanes as hydrogen source at a binuclear rhodium complex: Characterization of key intermediates
Zamostna, Lada; et al, Journal of Fluorine Chemistry, 2013, 155, 132-142

Production Method 10

Reaction Conditions
1.1 Solvents: Toluene-d8 ;  8 h, rt → 50 °C
2.1 Solvents: Toluene ;  3 d, rt
3.1 Reagents: Triethylsilane Catalysts: Di-μ-hydrobis[1,1′-(1,3-propanediyl)bis[1,1-bis(1-methylethyl)phosphine-κP]]dirh… Solvents: Benzene-d6 ;  48 h, rt → 50 °C
Reference
Catalytic hydrodefluorination of fluoroaromatics with silanes as hydrogen source at a binuclear rhodium complex: Characterization of key intermediates
Zamostna, Lada; et al, Journal of Fluorine Chemistry, 2013, 155, 132-142

Production Method 11

Reaction Conditions
1.1 Solvents: Toluene-d8 ;  -30 °C; 20 h, -15 °C
2.1 Solvents: Toluene-d8 ;  2 h, rt
3.1 Solvents: Toluene ;  3 d, rt
4.1 Reagents: Triethylsilane Catalysts: Di-μ-hydrobis[1,1′-(1,3-propanediyl)bis[1,1-bis(1-methylethyl)phosphine-κP]]dirh… Solvents: Benzene-d6 ;  48 h, rt → 50 °C
Reference
Catalytic hydrodefluorination of fluoroaromatics with silanes as hydrogen source at a binuclear rhodium complex: Characterization of key intermediates
Zamostna, Lada; et al, Journal of Fluorine Chemistry, 2013, 155, 132-142

Production Method 12

Reaction Conditions
1.1 Reagents: Sodium hydroxide 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 13

Reaction Conditions
Reference
Fluorinations with complex metal fluorides. Part 6. Fluorination of pyridine and related compounds with cesium tetrafluorocobaltate(III)
Plevey, Raymond G.; et al, Journal of Fluorine Chemistry, 1982, 21(2), 159-69

Production Method 14

Reaction Conditions
1.1 Reagents: Triethylsilane Catalysts: (OC-6-43)-[1,3-Bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylide… Solvents: Tetrahydrofuran ;  3 d, 343 K
Reference
Mechanistic Study of Ru-NHC-Catalyzed Hydrodefluorination of Fluoropyridines: The Influence of the NHC on the Regioselectivity of C-F Activation and Chemoselectivity of C-F versus C-H Bond Cleavage
McKay, David; et al, ACS Catalysis, 2015, 5(2), 776-787

Production Method 15

Reaction Conditions
1.1 Solvents: Toluene ;  3 d, rt
2.1 Reagents: Triethylsilane Catalysts: Di-μ-hydrobis[1,1′-(1,3-propanediyl)bis[1,1-bis(1-methylethyl)phosphine-κP]]dirh… Solvents: Benzene-d6 ;  48 h, rt → 50 °C
Reference
Catalytic hydrodefluorination of fluoroaromatics with silanes as hydrogen source at a binuclear rhodium complex: Characterization of key intermediates
Zamostna, Lada; et al, Journal of Fluorine Chemistry, 2013, 155, 132-142

Production Method 16

Reaction Conditions
1.1 Reagents: Triethylsilane Catalysts: Di-μ-hydrobis[1,1′-(1,3-propanediyl)bis[1,1-bis(1-methylethyl)phosphine-κP]]dirh… Solvents: Benzene-d6 ;  48 h, rt → 50 °C
2.1 Reagents: Triethylsilane Catalysts: Di-μ-hydrobis[1,1′-(1,3-propanediyl)bis[1,1-bis(1-methylethyl)phosphine-κP]]dirh… Solvents: Benzene-d6 ;  48 h, rt → 50 °C
Reference
Catalytic hydrodefluorination of fluoroaromatics with silanes as hydrogen source at a binuclear rhodium complex: Characterization of key intermediates
Zamostna, Lada; et al, Journal of Fluorine Chemistry, 2013, 155, 132-142

Production Method 17

Reaction Conditions
1.1 Solvents: Toluene-d8 ;  -30 °C; 20 h, -15 °C
2.1 Solvents: Toluene-d8 ;  8 h, rt → 50 °C
3.1 Solvents: Toluene ;  3 d, rt
4.1 Reagents: Triethylsilane Catalysts: Di-μ-hydrobis[1,1′-(1,3-propanediyl)bis[1,1-bis(1-methylethyl)phosphine-κP]]dirh… Solvents: Benzene-d6 ;  48 h, rt → 50 °C
Reference
Catalytic hydrodefluorination of fluoroaromatics with silanes as hydrogen source at a binuclear rhodium complex: Characterization of key intermediates
Zamostna, Lada; et al, Journal of Fluorine Chemistry, 2013, 155, 132-142

2,5-Difluoropyridine Raw materials

2,5-Difluoropyridine Preparation Products

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