Cas no 76469-41-5 (2,3,5-Trifluoropyridine)

2,3,5-Trifluoropyridine structure
2,3,5-Trifluoropyridine structure
Product Name:2,3,5-Trifluoropyridine
CAS No:76469-41-5
MF:C5H2F3N
MW:133.071291446686
MDL:MFCD03001162
CID:59790
PubChem ID:2783287
Update Time:2025-04-18

2,3,5-Trifluoropyridine Chemical and Physical Properties

Names and Identifiers

    • 2,3,5-Trifluoropyridine
    • 2,3,5-trifluoro-pyridine
    • CS-W011084
    • SY050276
    • T2778
    • FT-0601995
    • A838716
    • J-506892
    • SB52311
    • MFCD03001162
    • Pyridine, 2,3,5-trifluoro-
    • JKVOXNTXYMXDHN-UHFFFAOYSA-N
    • SCHEMBL781323
    • DTXSID80382558
    • AM20070072
    • AC-24484
    • AKOS005064122
    • 76469-41-5
    • EN300-98136
    • DS-1210
    • DB-024237
    • BBL103006
    • STL556815
    • MDL： MFCD03001162
    • Inchi： 1S/C5H2F3N/c6-3-1-4(7)5(8)9-2-3/h1-2H
    • InChI Key： JKVOXNTXYMXDHN-UHFFFAOYSA-N
    • SMILES： FC1C(=NC=C(C=1)F)F
    • BRN： 6385503

Computed Properties

  • Exact Mass: 133.01400
  • Monoisotopic Mass: 133.014
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.5
  • Topological Polar Surface Area: 12.9A^2

Experimental Properties

  • Color/Form: Colorless liquid
  • Density: 1,499 g/cm3
  • Melting Point: No data available
  • Boiling Point: 102°C(lit.)
  • Flash Point: 30°C
  • Refractive Index: 1.422
  • Water Partition Coefficient: Difficult to mix in water.
  • PSA: 12.89000
  • LogP: 1.49890
  • Solubility: Insoluble in water.

2,3,5-Trifluoropyridine Security Information

2,3,5-Trifluoropyridine 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%

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2,3,5-Trifluoropyridine Production Method

Production Method 1

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 2

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 3

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 4

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 5

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 6

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 7

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 8

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

Production Method 9

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 ;  19.45 h, 343 K
Reference
Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes
Reade, Steven P.; et al, Journal of the American Chemical Society, 2009, 131(5), 1847-1861

2,3,5-Trifluoropyridine Raw materials

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