Cas no 39890-98-7 (2,6-Dichloro-4-(trifluoromethyl)pyridine)

2,6-Dichloro-4-(trifluoromethyl)pyridine is a halogenated pyridine derivative characterized by its trifluoromethyl and chloro substituents, which enhance its reactivity and utility in organic synthesis. This compound serves as a versatile intermediate in the preparation of agrochemicals, pharmaceuticals, and specialty chemicals, owing to its electron-withdrawing groups that facilitate nucleophilic substitution reactions. Its structural features make it particularly valuable for constructing complex molecules with trifluoromethyl motifs, which are often sought after for their metabolic stability and lipophilicity. The compound’s high purity and well-defined reactivity profile ensure consistent performance in cross-coupling, heterocyclic functionalization, and other fine chemical applications.
2,6-Dichloro-4-(trifluoromethyl)pyridine structure
39890-98-7 structure
Product Name:2,6-Dichloro-4-(trifluoromethyl)pyridine
CAS No:39890-98-7
MF:C6H2Cl2F3N
MW:215.987989902496
MDL:MFCD00042246
CID:55116
PubChem ID:253661131
Update Time:2025-10-29

2,6-Dichloro-4-(trifluoromethyl)pyridine Chemical and Physical Properties

Names and Identifiers

    • 2,6-Dichloro-4-(trifluoromethyl)pyridine
    • 2,6-Dichloro-4-(trifluoromethylpyridine)
    • 2,6-Dichloro-4-trifluoromethylpyridine
    • 2,6-dichloro-4-trifluoromethyl-pyridine
    • 4-trifluoromethyl-2,6-dichloropyridine
    • KVNQWVYYVLCZKK-UHFFFAOYSA-N
    • Pyridine, 2,6-dichloro-4-(trifluoromethyl)-
    • SBB055518
    • BBL101847
    • STL555644
    • TRA0074264
    • EF10164
    • LS20634
    • VP109
    • 39890-98-7
    • SY022759
    • D4684
    • AC-24506
    • PS-7933
    • A6658
    • AM20061726
    • FT-0610588
    • EN300-133330
    • CS-W007641
    • MFCD00042246
    • PB47380
    • J-507429
    • AKOS005063344
    • DTXSID60334510
    • SCHEMBL561772
    • 2,6-Dichloro-4-(trifluoromethyl)pyridine, 97%
    • DB-001210
    • MDL: MFCD00042246
    • Inchi: 1S/C6H2Cl2F3N/c7-4-1-3(6(9,10)11)2-5(8)12-4/h1-2H
    • InChI Key: KVNQWVYYVLCZKK-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=C(N=1)Cl)C(F)(F)F

Computed Properties

  • Exact Mass: 214.95200
  • Monoisotopic Mass: 214.952
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 151
  • 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: 3.7
  • Topological Polar Surface Area: 12.9

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Density: 1.505?g/mL?at 25?°C
  • Boiling Point: 56-57?°C/10?mmHg
  • Flash Point: Degrees Fahrenheit:185°F
    Degrees Celsius:85°C
  • Refractive Index: n20/D 1.473
  • PSA: 12.89000
  • LogP: 3.40720
  • Solubility: Not determined
  • Sensitiveness: Sensitive to air

2,6-Dichloro-4-(trifluoromethyl)pyridine Security Information

2,6-Dichloro-4-(trifluoromethyl)pyridine 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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2,6-Dichloro-4-(trifluoromethyl)pyridine Production Method

2,6-Dichloro-4-(trifluoromethyl)pyridine Related Literature

Additional information on 2,6-Dichloro-4-(trifluoromethyl)pyridine

Recent Advances in the Application of 2,6-Dichloro-4-(trifluoromethyl)pyridine (CAS: 39890-98-7) in Chemical Biology and Pharmaceutical Research

2,6-Dichloro-4-(trifluoromethyl)pyridine (CAS: 39890-98-7) is a fluorinated pyridine derivative that has garnered significant attention in chemical biology and pharmaceutical research due to its unique structural and electronic properties. This compound serves as a versatile building block in the synthesis of agrochemicals, pharmaceuticals, and specialty chemicals. Recent studies have explored its potential as a key intermediate in the development of novel bioactive molecules, particularly in the context of drug discovery and material science.

A 2023 study published in the Journal of Medicinal Chemistry highlighted the role of 2,6-Dichloro-4-(trifluoromethyl)pyridine in the synthesis of trifluoromethyl-substituted heterocycles, which are increasingly recognized for their enhanced metabolic stability and bioavailability. The study demonstrated that the trifluoromethyl group at the 4-position of the pyridine ring significantly influences the electronic distribution, thereby improving binding affinity to target proteins. This finding opens new avenues for the design of enzyme inhibitors and receptor modulators.

In agrochemical applications, 2,6-Dichloro-4-(trifluoromethyl)pyridine has been utilized as a precursor for the synthesis of herbicides and pesticides. A recent report in Pest Management Science (2024) detailed its use in developing next-generation pyridine-based herbicides with improved selectivity and environmental safety. The study emphasized the compound's role in introducing trifluoromethyl groups into herbicidal molecules, which enhances their efficacy against resistant weed species while minimizing non-target toxicity.

From a methodological perspective, advances in catalytic C-H functionalization have streamlined the synthesis of 2,6-Dichloro-4-(trifluoromethyl)pyridine derivatives. A 2024 ACS Catalysis paper described a palladium-catalyzed cross-coupling approach that enables the efficient introduction of diverse substituents at the 2- and 6-positions of the pyridine ring. This method significantly reduces the number of synthetic steps and improves yields, making it highly attractive for industrial-scale production.

Ongoing research is also exploring the biomedical applications of 2,6-Dichloro-4-(trifluoromethyl)pyridine derivatives. Preliminary results from a 2024 study in Bioorganic & Medicinal Chemistry Letters suggest that certain derivatives exhibit promising activity against bacterial pathogens, including multidrug-resistant strains. The presence of the trifluoromethyl group appears to enhance membrane permeability, a critical factor in overcoming bacterial resistance mechanisms.

In conclusion, 2,6-Dichloro-4-(trifluoromethyl)pyridine (CAS: 39890-98-7) continues to be a molecule of high interest in multiple research domains. Its applications span from agrochemicals to pharmaceuticals, driven by its synthetic versatility and the unique properties imparted by the trifluoromethyl group. Future research directions may focus on expanding its utility in targeted drug delivery systems and green chemistry initiatives, further solidifying its importance in chemical biology and pharmaceutical sciences.

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