Cas no 885168-12-7 (2,3-Dichloro-5-methoxypyridine)

2,3-Dichloro-5-methoxypyridine is a halogenated pyridine derivative characterized by its dichloro and methoxy functional groups at the 2, 3, and 5 positions, respectively. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its electron-deficient pyridine core and reactive chloro substituents make it suitable for nucleophilic substitution and cross-coupling reactions, enabling the construction of complex heterocyclic frameworks. The methoxy group enhances solubility and influences regioselectivity in further derivatization. With high purity and stability under standard conditions, it is a reliable building block for researchers developing active ingredients or functional materials. Proper handling is advised due to its potential reactivity.
2,3-Dichloro-5-methoxypyridine structure
885168-12-7 structure
Product Name:2,3-Dichloro-5-methoxypyridine
CAS No:885168-12-7
MF:C6H5Cl2NO
MW:178.015999555588
MDL:MFCD08277295
CID:706756
PubChem ID:44754883
Update Time:2025-06-08

2,3-Dichloro-5-methoxypyridine Chemical and Physical Properties

Names and Identifiers

    • 2,3-Dichloro-5-methoxypyridine
    • Pyridine,2,3-dichloro-5-methoxy-
    • 2,3-Dichloro-5-methoxypyridine (ACI)
    • MFCD08277295
    • AKOS006288148
    • DB-025237
    • 885168-12-7
    • SB21253
    • BS-23967
    • SCHEMBL5942319
    • DTXSID30660570
    • E76496
    • CS-0188463
    • MDL: MFCD08277295
    • Inchi: 1S/C6H5Cl2NO/c1-10-4-2-5(7)6(8)9-3-4/h2-3H,1H3
    • InChI Key: JQHLCLPLUWFPFE-UHFFFAOYSA-N
    • SMILES: ClC1C(Cl)=CC(OC)=CN=1

Computed Properties

  • Exact Mass: 176.97500
  • Monoisotopic Mass: 176.975
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 112
  • 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
  • XLogP3: 2.5
  • Topological Polar Surface Area: 22.1A^2

Experimental Properties

  • Density: 1.363
  • Boiling Point: 242.7°C at 760 mmHg
  • Flash Point: 100.6°C
  • Refractive Index: 1.537
  • PSA: 22.12000
  • LogP: 2.39700

2,3-Dichloro-5-methoxypyridine 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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Additional information on 2,3-Dichloro-5-methoxypyridine

2,3-Dichloro-5-methoxypyridine: A Comprehensive Overview

The compound 2,3-Dichloro-5-methoxypyridine (CAS No. 885168-12-7) is a heterocyclic aromatic compound with significant applications in various fields, including pharmaceuticals, agrochemicals, and materials science. This molecule is characterized by its pyridine ring structure, which is a six-membered ring containing one nitrogen atom and two chlorine substituents at the 2 and 3 positions, along with a methoxy group at the 5 position. The unique combination of these substituents imparts distinct chemical and physical properties to the compound.

Recent studies have highlighted the potential of 2,3-Dichloro-5-methoxypyridine in drug discovery. Researchers have explored its role as a precursor in the synthesis of bioactive compounds, particularly in the development of kinase inhibitors and other therapeutic agents. The methoxy group at the 5 position plays a crucial role in modulating the electronic properties of the molecule, making it an attractive candidate for further exploration in medicinal chemistry.

In the field of agrochemicals, 2,3-Dichloro-5-methoxypyridine has been investigated for its potential as a herbicide or fungicide. Its ability to interact with specific biological targets makes it a promising candidate for agricultural applications. Recent advancements in green chemistry have also led to the development of more sustainable synthesis methods for this compound, reducing its environmental footprint while maintaining its efficacy.

The synthesis of 2,3-Dichloro-5-methoxypyridine involves multi-step processes that require precise control over reaction conditions. One common approach involves the chlorination of pyridine derivatives followed by methylation at specific positions. The use of advanced catalytic systems has significantly improved the yield and purity of this compound in recent years.

From a materials science perspective, 2,3-Dichloro-5-methoxypyridine has been studied for its potential as a building block in the construction of advanced materials such as coordination polymers and metal-organic frameworks (MOFs). Its ability to coordinate with metal ions makes it a valuable component in these systems, which are widely used in gas storage, catalysis, and sensing applications.

Recent research has also focused on understanding the environmental fate and toxicity of 2,3-Dichloro-5-methoxypyridine. Studies have shown that while it exhibits moderate biodegradability under certain conditions, further investigation is needed to fully assess its impact on ecosystems. This information is critical for ensuring the safe handling and disposal of this compound in industrial settings.

In conclusion, 2,3-Dichloro-5-methoxypyridine (CAS No. 885168-12-7) is a versatile compound with diverse applications across multiple disciplines. Its unique chemical structure and reactivity make it an invaluable tool for researchers and industry professionals alike. As advancements in synthetic methods and material science continue to evolve, the potential for this compound to contribute to innovative solutions in various fields remains vast.

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