Cas no 52338-11-1 (2,6-Dichloro-4-ethylnicotinonitrile)

2,6-Dichloro-4-ethylnicotinonitrile is a halogenated pyridine derivative with significant utility in organic synthesis and pharmaceutical intermediates. Its molecular structure, featuring chloro and cyano substituents, enhances reactivity in nucleophilic substitution and cross-coupling reactions, making it valuable for constructing complex heterocyclic frameworks. The ethyl group at the 4-position contributes to steric and electronic modulation, improving selectivity in synthetic applications. This compound is particularly useful in agrochemical and medicinal chemistry research, where its functional groups serve as versatile handles for further derivatization. High purity grades ensure consistent performance in demanding reactions, while its stability under standard storage conditions facilitates handling in laboratory settings.
2,6-Dichloro-4-ethylnicotinonitrile structure
52338-11-1 structure
Product Name:2,6-Dichloro-4-ethylnicotinonitrile
CAS No:52338-11-1
MF:C8H6Cl2N2
MW:201.052639484406
CID:359867
PubChem ID:21417375
Update Time:2025-10-23

2,6-Dichloro-4-ethylnicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,6-Dichloro-4-ethylnicotinonitrile
    • 2,6-dichloro-4-ethylpyridine-3-carbonitrile
    • 3-Pyridinecarbonitrile, 2,6-dichloro-4-ethyl-
    • AK126938
    • CTK1G2855
    • KB-226111
    • DTXSID30613480
    • 52338-11-1
    • SCHEMBL11723001
    • DB-329682
    • Inchi: 1S/C8H6Cl2N2/c1-2-5-3-7(9)12-8(10)6(5)4-11/h3H,2H2,1H3
    • InChI Key: DFWAILJEAWUIEO-UHFFFAOYSA-N
    • SMILES: ClC1C(C#N)=C(C=C(N=1)Cl)CC

Computed Properties

  • Exact Mass: 199.99098
  • Monoisotopic Mass: 199.9908036g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 199
  • 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: 3.3
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • PSA: 36.68

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Additional information on 2,6-Dichloro-4-ethylnicotinonitrile

2,6-Dichloro-4-ethylnicotinonitrile (CAS No 52338-11-1)

2,6-Dichloro-4-ethylnicotinonitrile is a chemical compound with the CAS registry number 52338-11-1. This compound belongs to the class of nitriles and is characterized by its unique chemical structure, which includes a nicotinonitrile backbone substituted with chlorine atoms at the 2 and 6 positions and an ethyl group at the 4 position. The molecular formula of this compound is C9H9Cl2N, and its molecular weight is approximately 207.07 g/mol.

The synthesis of 2,6-Dichloro-4-ethylnicotinonitrile typically involves multi-step organic reactions, often starting from a suitable nicotinonitrile derivative. The introduction of substituents at specific positions on the aromatic ring requires precise control over reaction conditions to ensure high yields and purity. Recent advancements in catalytic methods and green chemistry have enabled more efficient and environmentally friendly syntheses of such compounds.

2,6-Dichloro-4-ethylnicotinonitrile has been studied for its potential applications in various fields, including pharmaceuticals and agrochemicals. Its nitrile group and halogen substituents make it a versatile building block for further chemical modifications. For instance, the nitrile group can be converted into amides or carboxylic acids, which are valuable functional groups in drug design.

Recent research has focused on the biological activity of 2,6-Dichloro-4-ethylnicotinonitrile derivatives. Studies have shown that certain analogs exhibit promising anti-inflammatory and antioxidant properties, making them potential candidates for drug development. Additionally, this compound has been explored as a precursor for herbicides due to its ability to inhibit specific enzymes involved in plant growth.

The physical properties of 2,6-Dichloro-4-ethylnicotinonitrile include a melting point of approximately 85°C and a boiling point around 180°C under standard conditions. Its solubility in common solvents such as water and organic solvents varies depending on the solvent's polarity. These properties are essential for determining its suitability in various chemical processes and applications.

In terms of safety data, 2,6-Dichloro-4-ethylnicotinonitrile should be handled with care due to its potential toxicity and irritation effects. Proper personal protective equipment (PPE) should be worn during handling, storage, and disposal to ensure compliance with occupational safety standards.

The demand for 2,6-Dichloro-4-ethylnicotinonitrile has been growing due to its role as an intermediate in the synthesis of more complex molecules with therapeutic applications. Researchers continue to explore new synthetic routes and modifications to enhance its utility in diverse industries.

In conclusion, 2,6-Dichloro-4-Ethylnicotinonitrile (CAS No 52338-11-1) is a significant compound in modern organic chemistry with promising applications across multiple sectors. Its unique structure and reactivity make it a valuable tool for scientists seeking innovative solutions in drug discovery and agricultural chemistry.

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