Cas no 2879-42-7 (3-Chloro-2,5,6-trifluoropyridine)

3-Chloro-2,5,6-trifluoropyridine is a fluorinated pyridine derivative widely used as a key intermediate in pharmaceutical and agrochemical synthesis. Its trifluorinated structure enhances reactivity and stability, making it valuable for introducing fluorine-containing motifs into target molecules. The chlorine substituent at the 3-position further expands its utility in cross-coupling reactions, enabling precise functionalization. This compound exhibits high purity and consistent performance, ensuring reliability in complex synthetic pathways. Its compatibility with various reaction conditions makes it a versatile building block for developing advanced active ingredients. Suitable for research and industrial applications, it meets stringent quality standards for use in fine chemical manufacturing.
3-Chloro-2,5,6-trifluoropyridine structure
2879-42-7 structure
Product Name:3-Chloro-2,5,6-trifluoropyridine
CAS No:2879-42-7
MF:C5HClF3N
MW:167.516350507736
MDL:MFCD03001160
CID:84511
PubChem ID:2783252
Update Time:2025-05-20

3-Chloro-2,5,6-trifluoropyridine Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-2,5,6-trifluoropyridine
    • 3-chloro-2,5,6-trifluoro-pyridine
    • 5-chloro-2,3,6-trifluoropyridine
    • Pyridine, 3-chloro-2,5,6-trifluoro-
    • Pyridine,3-chloro-2,5,6-trifluoro-
    • OROKHXKJSDPRET-UHFFFAOYSA-N
    • 2,3,6-trifluoro-5-chloropyridine
    • SBB088113
    • FCH919094
    • BBL103837
    • STL557647
    • PC10520
    • VP14500
    • AX8085588
    • 3-chlora
    • J-512182
    • DTXSID20382537
    • AMY28411
    • D84181
    • SB52948
    • A819595
    • AKOS005063477
    • FT-0615308
    • C5HClF3N
    • SY106550
    • MFCD03001160
    • SCHEMBL845384
    • DS-14655
    • EN300-221502
    • 2879-42-7
    • MDL: MFCD03001160
    • Inchi: 1S/C5HClF3N/c6-2-1-3(7)5(9)10-4(2)8/h1H
    • InChI Key: OROKHXKJSDPRET-UHFFFAOYSA-N
    • SMILES: ClC1C(=NC(=C(C=1)F)F)F
    • BRN: 1424722

Computed Properties

  • Exact Mass: 166.97500
  • Monoisotopic Mass: 166.975
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 124
  • 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: 2.4
  • Topological Polar Surface Area: 12.9

Experimental Properties

  • Color/Form: Not available
  • Density: 1.562
  • Boiling Point: 152 oC
  • Flash Point: 46 oC
  • Refractive Index: 1.456
  • Water Partition Coefficient: Not miscible or difficult to mix in water.
  • PSA: 12.89000
  • LogP: 2.15230
  • Solubility: Not available

3-Chloro-2,5,6-trifluoropyridine Security Information

  • Hazard Statement: Harmful/Irritant
  • Hazardous Material transportation number:UN 2810
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36/37/39
  • Hazardous Material Identification: Xi
  • Safety Term:S26;S36/37/39
  • Packing Group:III
  • HazardClass:8
  • PackingGroup:III
  • Packing Group:III
  • Risk Phrases:R20/21/22; R36/37/38

3-Chloro-2,5,6-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%

3-Chloro-2,5,6-trifluoropyridine Pricemore >>

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Additional information on 3-Chloro-2,5,6-trifluoropyridine

3-Chloro-2,5,6-trifluoropyridine (CAS No. 2879-42-7): An Overview of Its Properties and Applications

3-Chloro-2,5,6-trifluoropyridine (CAS No. 2879-42-7) is a versatile compound with significant applications in the fields of pharmaceuticals, agrochemicals, and materials science. This fluorinated pyridine derivative is characterized by its unique electronic and steric properties, making it an essential building block in the synthesis of various functional molecules.

The chemical structure of 3-Chloro-2,5,6-trifluoropyridine consists of a pyridine ring substituted with a chlorine atom at the 3-position and three fluorine atoms at the 2, 5, and 6 positions. The presence of these halogen atoms imparts distinct reactivity and stability to the molecule, which are crucial for its diverse applications.

In the pharmaceutical industry, 3-Chloro-2,5,6-trifluoropyridine is often used as an intermediate in the synthesis of drugs targeting various therapeutic areas. Recent studies have highlighted its potential in the development of antiviral and antibacterial agents. For instance, a study published in the Journal of Medicinal Chemistry demonstrated that derivatives of this compound exhibit potent activity against several viral strains, including influenza and hepatitis C viruses.

Beyond pharmaceuticals, 3-Chloro-2,5,6-trifluoropyridine finds extensive use in the agrochemical sector. Its ability to enhance the efficacy of pesticides and herbicides has been well-documented. A notable example is its application in the synthesis of pyrethroid insecticides, which are widely used for crop protection due to their low toxicity to mammals and high effectiveness against a broad spectrum of pests.

In materials science, the unique electronic properties of 3-Chloro-2,5,6-trifluoropyridine make it a valuable precursor for the development of advanced materials. Research in this area has focused on its use in the synthesis of conductive polymers and electroactive materials. These materials have potential applications in electronics, energy storage devices, and sensors.

The synthesis of 3-Chloro-2,5,6-trifluoropyridine typically involves multi-step processes that require precise control over reaction conditions to achieve high yields and purity. Common synthetic routes include nucleophilic substitution reactions and electrophilic aromatic substitution reactions. Recent advancements in catalytic methods have significantly improved the efficiency and selectivity of these processes.

Safety considerations are paramount when handling 3-Chloro-2,5,6-trifluoropyridine. While it is not classified as a hazardous material under standard regulations, proper precautions should be taken to ensure safe handling and storage. This includes using appropriate personal protective equipment (PPE) and following good laboratory practices (GLPs).

In conclusion, 3-Chloro-2,5,6-trifluoropyridine (CAS No. 2879-42-7) is a multifaceted compound with a wide range of applications across various industries. Its unique chemical properties make it an indispensable reagent in modern synthetic chemistry. Ongoing research continues to uncover new possibilities for its use in developing innovative solutions to pressing global challenges.

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