Cas no 3512-18-3 (2,3,6-Trifluoropyridine)

2,3,6-Trifluoropyridine is a fluorinated heterocyclic compound with the molecular formula C?H?F?N. This pyridine derivative is characterized by its three fluorine substituents at the 2, 3, and 6 positions, which enhance its reactivity and utility in various synthetic applications. The electron-withdrawing nature of the fluorine atoms makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing complex fluorinated molecules. Its high purity and stability under standard conditions ensure consistent performance in cross-coupling reactions, nucleophilic substitutions, and other transformations. The compound’s well-defined structure and predictable reactivity make it a preferred choice for researchers developing advanced fluorinated compounds.
2,3,6-Trifluoropyridine structure
2,3,6-Trifluoropyridine structure
Product Name:2,3,6-Trifluoropyridine
CAS No:3512-18-3
MF:C5H2F3N
MW:133.071291446686
MDL:MFCD03001158
CID:84770
PubChem ID:2783288
Update Time:2025-05-27

2,3,6-Trifluoropyridine Chemical and Physical Properties

Names and Identifiers

    • 2,3,6-Trifluoropyridine
    • 2,3,4-TRICB UNLABELED
    • 2,3,6-trifluoropyridin
    • 2,3,6-Trifluoro-pyridine
    • 2,3,6-Trifluorpyridin
    • 2,5,6-F3C5H2N
    • 2,5,6-trifluoropyridine
    • 2,5,6-Trifluor-pyridin
    • SCHEMBL502845
    • AS-52994
    • CS-0055721
    • Pyridine, 2,3,6-trifluoro-
    • AC-18783
    • HRLIANGJWPJFKW-UHFFFAOYSA-N
    • P15955
    • A822585
    • AMY12439
    • EN300-98297
    • 2,3,6-tris(fluoranyl)pyridine
    • SB52420
    • SY034219
    • FT-0609488
    • AKOS005063942
    • MFCD03001158
    • 3512-18-3
    • J-506899
    • DTXSID40382559
    • C5H2F3N
    • DTXCID20333584
    • STL556545
    • DB-082024
    • BBL102739
    • MDL： MFCD03001158
    • Inchi： 1S/C5H2F3N/c6-3-1-2-4(7)9-5(3)8/h1-2H
    • InChI Key： HRLIANGJWPJFKW-UHFFFAOYSA-N
    • SMILES： FC1C(=NC(=CC=1)F)F
    • BRN： 1365146

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: 1.8
  • Topological Polar Surface Area: 12.9A^2

Experimental Properties

  • Color/Form: colorless liquid
  • Density: 1,499 g/cm3
  • Boiling Point: 100-102°C
  • Flash Point: 30°C
  • Refractive Index: 1.42
  • Water Partition Coefficient: Not miscible or difficult to mix in water.
  • PSA: 12.89000
  • LogP: 1.49890
  • Solubility: Unable or difficult to mix

2,3,6-Trifluoropyridine Security Information

  • Hazard Statement： Flammable/Irritant
  • Hazardous Material transportation number：1993
  • Hazard Category Code： 36/37/38-10
  • Safety Instruction： S26-S36/37/39-S37
  • Hazardous Material Identification： Xi F C
  • HazardClass：3
  • PackingGroup：III
  • Safety Term：3
  • Packing Group：III
  • Risk Phrases：R10; R36/37/38
  • Packing Group：III
  • Hazard Level：3

2,3,6-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%

2,3,6-Trifluoropyridine Pricemore >>

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2,3,6-Trifluoropyridine Production Method

Production Method 1

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 2

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 3

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 4

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 5

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 6

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 7

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 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

2,3,6-Trifluoropyridine Raw materials

2,3,6-Trifluoropyridine Preparation Products

2,3,6-Trifluoropyridine Related Literature

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