Cas no 121246-96-6 (3-Chloropyrazine-2-carbaldehyde)

3-Chloropyrazine-2-carbaldehyde is a versatile heterocyclic compound featuring a chloropyrazine core with an aldehyde functional group at the 2-position. This structure makes it a valuable intermediate in organic synthesis, particularly for pharmaceutical and agrochemical applications. The presence of both chlorine and aldehyde groups offers multiple reactive sites for further functionalization, enabling the construction of complex molecular frameworks. Its high purity and stability under standard conditions ensure reliable performance in reactions such as nucleophilic substitutions, condensations, and cross-coupling processes. The compound is particularly useful in the development of biologically active molecules, including potential drug candidates and specialty chemicals. Proper handling and storage are recommended due to its reactive aldehyde moiety.
3-Chloropyrazine-2-carbaldehyde structure
121246-96-6 structure
Product Name:3-Chloropyrazine-2-carbaldehyde
CAS No:121246-96-6
MF:C5H3ClN2O
MW:142.543119668961
MDL:MFCD07371660
CID:104777
PubChem ID:17962962
Update Time:2025-09-21

3-Chloropyrazine-2-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-Chloropyrazine-2-carbaldehyde
    • 2-Pyrazinecarboxaldehyde, 3-chloro-
    • 3-Chloro-pyrazine-2-carbaldehyde
    • 2,3,4,9-TETRAHYDRO...
    • Pyrazinecarboxaldehyde, 3-chloro-
    • 2-Pyrazinecarboxaldehyde,3-chloro-
    • 3-CHLORO-2-PYRAZINECARBOXALDEHYDE
    • chloro-formylpyrazine
    • QRVSQUNWTBLLOC-UHFFFAOYSA-N
    • BCP23120
    • 3-CHLOROPYRAZINECARBOXALDEHYDE
    • SBB086263
    • RP20785
    • AB32644
    • BC670991
    • ST2417666
    • AB0028301
    • 3-chloropyrazine-2-carboxaldehyde
    • AS-50512
    • EN300-60212
    • AKOS006228149
    • SY023956
    • SCHEMBL570241
    • P10456
    • 121246-96-6
    • J-004467
    • FT-0648313
    • DTXSID40591780
    • MFCD07371660
    • CS-0051399
    • AMY15886
    • MDL: MFCD07371660
    • Inchi: 1S/C5H3ClN2O/c6-5-4(3-9)7-1-2-8-5/h1-3H
    • InChI Key: QRVSQUNWTBLLOC-UHFFFAOYSA-N
    • SMILES: ClC1C(C=O)=NC=CN=1

Computed Properties

  • Exact Mass: 141.99300
  • Monoisotopic Mass: 141.993
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 109
  • 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: 0.5
  • Topological Polar Surface Area: 42.8

Experimental Properties

  • Density: 1.432
  • Boiling Point: 214 oC
  • Flash Point: 83 oC
  • Refractive Index: 1.6
  • PSA: 42.85000
  • LogP: 0.94250

3-Chloropyrazine-2-carbaldehyde Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 3-Chloropyrazine-2-carbaldehyde

3-Chloropyrazine-2-carbaldehyde: A Comprehensive Overview

3-Chloropyrazine-2-carbaldehyde (CAS No. 121246-96-6) is a heterocyclic compound with a unique chemical structure that has garnered significant attention in the fields of organic chemistry, materials science, and pharmacology. This compound belongs to the class of pyrazine derivatives, which are known for their versatile applications in drug discovery, agrochemicals, and advanced materials. The chloropyrazine moiety in its structure contributes to its distinctive electronic properties, making it a valuable building block in synthetic chemistry.

Recent advancements in synthetic methodologies have enabled the efficient synthesis of 3-chloropyrazine-2-carbaldehyde. Researchers have explored various routes, including oxidative coupling reactions and transition-metal-catalyzed processes, to optimize its production. These methods not only enhance the yield but also minimize environmental impact, aligning with the growing demand for sustainable chemical practices. The compound's ability to undergo further functionalization has made it a key intermediate in the synthesis of more complex molecules with tailored properties.

The electronic properties of 3-chloropyrazine-2-carbaldehyde have been extensively studied using computational chemistry techniques. These studies reveal that the compound exhibits a conjugated π-system, which is crucial for its application in optoelectronic materials. Recent research has demonstrated its potential as a component in organic light-emitting diodes (OLEDs) and photovoltaic devices, where its high electron mobility and stability under operational conditions are highly desirable.

In the pharmaceutical industry, 3-chloropyrazine-2-carbaldehyde has shown promise as a lead compound for drug development. Its ability to act as a ligand in metalloenzyme inhibitors has been explored in several studies. For instance, researchers have reported its potential as an inhibitor of histone deacetylases (HDACs), which are key targets in cancer therapy. The compound's unique reactivity and selectivity make it a valuable tool in medicinal chemistry.

The agricultural sector has also benefited from the study of 3-chloropyrazine-2-carbaldehyde. Its derivatives have been investigated for their pesticidal properties, particularly as potential fungicides and insecticides. Recent field trials have highlighted its effectiveness against common crop pathogens, offering a sustainable alternative to traditional chemical pesticides.

From an environmental perspective, the degradation pathways of 3-chloropyrazine-2-carbaldehyde have been thoroughly analyzed to assess its ecological impact. Studies indicate that the compound undergoes rapid biodegradation under aerobic conditions, reducing concerns about long-term environmental persistence. This information is critical for regulatory agencies evaluating its safety for industrial and agricultural applications.

Looking ahead, the future of 3-chloropyrazine-2-carbaldehyde lies in its integration into cutting-edge technologies. Its role as a precursor in nanomaterial synthesis is particularly promising, with recent breakthroughs showcasing its ability to form self-assembled monolayers with exceptional stability and conductivity. These advancements open new avenues for applications in nanoelectronics and sensor technologies.

In conclusion, 3-chloropyrazine-2-carbaldehyde (CAS No. 121246-96-6) stands out as a versatile and multifaceted compound with wide-ranging applications across various industries. Its unique chemical properties, coupled with ongoing research into its synthesis and applications, ensure that it will remain a focal point in scientific innovation for years to come.

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