Cas no 1009334-04-6 (4,5-Dichloropyridine-3-carbaldehyde)

4,5-Dichloropyridine-3-carbaldehyde is a versatile halogenated pyridine derivative, primarily employed as a key intermediate in organic synthesis and pharmaceutical research. Its distinct structure, featuring reactive aldehyde and dichloro substituents, enables selective functionalization, making it valuable for constructing complex heterocyclic compounds. The compound exhibits high purity and stability under standard conditions, ensuring reliable performance in cross-coupling reactions, nucleophilic additions, and other transformations. Its utility extends to agrochemical and medicinal chemistry, where it serves as a precursor for bioactive molecules. The precise positioning of chlorine atoms enhances reactivity and regioselectivity, facilitating targeted modifications. Suitable for controlled environments, it requires handling with appropriate safety measures due to its reactive aldehyde group.
4,5-Dichloropyridine-3-carbaldehyde structure
1009334-04-6 structure
Product Name:4,5-Dichloropyridine-3-carbaldehyde
CAS No:1009334-04-6
MF:C6H3Cl2NO
MW:176.000119447708
MDL:MFCD13189033
CID:1065579
PubChem ID:59596580
Update Time:2025-10-29

4,5-Dichloropyridine-3-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4,5-dichloro-3-Pyridinecarboxaldehyde
    • 4,5-dichloropyridine-3-carbaldehyde
    • 4,5-Dichloropyridine-3-carboxaldehyde
    • 4,5-dichloronicotinaldehyde
    • SCHEMBL1919936
    • CS-0051112
    • RYOHOUJPNPVRKU-UHFFFAOYSA-N
    • Z1255392361
    • MFCD13189033
    • AKOS027325801
    • 1009334-04-6
    • AB67605
    • SY046129
    • AS-38373
    • 3-PYRIDINECARBOXALDEHYDE, 4,5-DICHLORO-
    • DTXSID30732468
    • DB-106253
    • EN300-216574
    • 4,5-Dichloropyridine-3-carbaldehyde
    • MDL: MFCD13189033
    • Inchi: 1S/C6H3Cl2NO/c7-5-2-9-1-4(3-10)6(5)8/h1-3H
    • InChI Key: RYOHOUJPNPVRKU-UHFFFAOYSA-N
    • SMILES: ClC1C(=CN=CC=1C=O)Cl

Computed Properties

  • Exact Mass: 174.9591691g/mol
  • Monoisotopic Mass: 174.9591691g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 131
  • 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: 1.6
  • Topological Polar Surface Area: 30?2

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Additional information on 4,5-Dichloropyridine-3-carbaldehyde

4,5-Dichloropyridine-3-carbaldehyde: A Comprehensive Overview

The compound 4,5-Dichloropyridine-3-carbaldehyde (CAS No. 1009334-04-6) is a heterocyclic aromatic aldehyde with significant applications in various fields of chemistry and materials science. This compound belongs to the pyridine family, a group of nitrogen-containing aromatic compounds that have been extensively studied due to their unique electronic properties and versatile reactivity. The presence of two chlorine atoms at the 4 and 5 positions of the pyridine ring introduces electronic effects that enhance its reactivity and make it a valuable precursor in organic synthesis.

Recent studies have highlighted the potential of 4,5-Dichloropyridine-3-carbaldehyde in the development of advanced materials, particularly in the realm of coordination polymers and metal-organic frameworks (MOFs). Researchers have demonstrated that this compound can act as a versatile ligand due to its ability to coordinate with metal ions through both the aldehyde and pyridine groups. This dual coordination capability has led to the creation of highly porous MOFs with applications in gas storage, catalysis, and sensing technologies.

In terms of synthesis, 4,5-Dichloropyridine-3-carbaldehyde is typically prepared via chlorination reactions of pyridine derivatives followed by oxidation or aldehyde formation steps. The exact synthetic pathway depends on the starting material and desired purity. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses, reducing the overall cost and environmental impact associated with its production.

The electronic properties of 4,5-Dichloropyridine-3-carbaldehyde make it an attractive candidate for use in organic electronics. Its ability to undergo various substitution reactions has been exploited in the design of novel semiconducting materials. For instance, studies published in leading journals such as *Chemical Communications* and *Journal of Materials Chemistry* have shown that this compound can be incorporated into polymer blends to enhance their electrical conductivity without compromising mechanical properties.

Beyond its role as a precursor or intermediate, 4,5-Dichloropyridine-3-carbaldehyde has also found applications in medicinal chemistry. Its structural similarity to certain bioactive molecules has led to its use in drug design programs targeting various therapeutic areas. For example, researchers have explored its potential as a lead compound for anti-inflammatory agents due to its ability to modulate key inflammatory pathways.

In conclusion, 4,5-Dichloropyridine-3-carbaldehyde (CAS No. 1009334-04-6) is a multifaceted compound with a wide range of applications across different scientific disciplines. Its unique chemical properties and reactivity continue to drive innovative research efforts, making it a valuable tool for scientists and engineers alike.

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