Cas no 63124-43-6 (2,4-dichlorobenzene-1-carboximidamide)

2,4-Dichlorobenzene-1-carboximidamide is a chlorinated aromatic carboximidamide compound with potential applications in pharmaceutical and agrochemical synthesis. Its structure, featuring dichloro-substitution on the benzene ring, enhances reactivity and selectivity in nucleophilic substitution and condensation reactions. The carboximidamide functional group offers versatility as a precursor for heterocyclic compounds, including imidazoles and triazines. This compound is valued for its stability under standard conditions and its ability to serve as an intermediate in the development of biologically active molecules. Its precise synthesis and purification ensure consistent performance in research and industrial processes, making it a reliable choice for specialized chemical applications.
2,4-dichlorobenzene-1-carboximidamide structure
63124-43-6 structure
Product Name:2,4-dichlorobenzene-1-carboximidamide
CAS No:63124-43-6
MF:C7H6Cl2N2
MW:189.041939258575
MDL:MFCD09745492
CID:877154
PubChem ID:10130297
Update Time:2025-05-24

2,4-dichlorobenzene-1-carboximidamide Chemical and Physical Properties

Names and Identifiers

    • 2,4-dichlorobenzenecarboximidamide
    • 2,4-DICHLORO-BENZAMIDINE
    • 2,4-Dichlor-benzamidin
    • 2,4-Dichlorobenzimidamide
    • Benzenecarboximidamide,2,4-dichloro
    • 2,4-dichlorobenzene-1-carboximidamide
    • AKOS009312435
    • EN300-1964428
    • 2,4-dichlorobenzamidine
    • DB-010004
    • SCHEMBL19350065
    • 63124-43-6
    • SB38028
    • CS-0454464
    • DTXSID30435982
    • MDL: MFCD09745492
    • Inchi: 1S/C7H6Cl2N2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H3,10,11)
    • InChI Key: NBWXTNUNIXZQKB-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=CC=1C(=N)N)Cl

Computed Properties

  • Exact Mass: 187.99100
  • Monoisotopic Mass: 187.9908036g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 161
  • 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: 2.1
  • Topological Polar Surface Area: 49.9?2

Experimental Properties

  • PSA: 49.87000
  • LogP: 3.07750

2,4-dichlorobenzene-1-carboximidamide Customs Data

  • HS CODE:2925290090
  • Customs Data:

    China Customs Code:

    2925290090

    Overview:

    2925290090 Other imines and their derivatives,And their salt.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2925290090 other imines and their derivatives; salts thereof.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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Additional information on 2,4-dichlorobenzene-1-carboximidamide

Introduction to 2,4-dichlorobenzene-1-carboximidamide (CAS No. 63124-43-6)

2,4-dichlorobenzene-1-carboximidamide, identified by the Chemical Abstracts Service Number (CAS No.) 63124-43-6, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound belongs to the class of benzene derivatives, characterized by the presence of chlorine substituents and a carboximidamide functional group. The unique structural features of this molecule make it a valuable intermediate in synthetic chemistry, particularly in the development of novel bioactive molecules.

The molecular structure of 2,4-dichlorobenzene-1-carboximidamide consists of a benzene ring substituted with two chlorine atoms at the 2- and 4-positions, and an imidamide group attached to the 1-position. This arrangement imparts distinct electronic and steric properties to the molecule, which are exploited in various chemical transformations. The presence of electron-withdrawing chlorine atoms enhances the reactivity of the benzene ring, making it more susceptible to nucleophilic aromatic substitution reactions. Additionally, the imidamide moiety introduces basicity and nucleophilicity, facilitating further functionalization.

In recent years, 2,4-dichlorobenzene-1-carboximidamide has been extensively studied for its potential applications in medicinal chemistry. The compound serves as a versatile building block for synthesizing more complex pharmacophores. Researchers have explored its utility in developing novel inhibitors targeting various biological pathways. For instance, derivatives of this compound have shown promise in inhibiting enzymes involved in cancer metabolism and inflammation.

One of the most notable applications of 2,4-dichlorobenzene-1-carboximidamide is in the synthesis of kinase inhibitors. Kinases are enzymes that play a crucial role in cell signaling pathways, and their dysregulation is associated with numerous diseases, including cancer. By modifying the structure of 2,4-dichlorobenzene-1-carboximidamide, scientists have developed molecules that selectively inhibit specific kinases without affecting others. These inhibitors have entered clinical trials and have demonstrated significant therapeutic potential.

The agrochemical industry has also benefited from the use of 2,4-dichlorobenzene-1-carboximidamide as an intermediate. Its derivatives exhibit herbicidal and pesticidal properties, making them effective in protecting crops from pests and weeds. The chlorine substituents enhance the lipophilicity of the molecule, improving its absorption and translocation within plants. This property is particularly advantageous for developing systemic pesticides that can provide long-lasting protection against agricultural pests.

From a synthetic chemistry perspective, 2,4-dichlorobenzene-1-carboximidamide is a valuable precursor for constructing more complex heterocyclic compounds. The imidamide group can undergo various reactions such as hydrolysis, amidation, and condensation reactions, allowing for the introduction of additional functional groups. These modifications enable chemists to tailor the properties of the resulting compounds for specific applications.

The latest research on 2,4-dichlorobenzene-1-carboximidamide has focused on its role in developing antiviral agents. The unique structural features of this compound allow it to interact with viral proteins and disrupt essential viral processes. Studies have shown that derivatives of 2,4-dichlorobenzene-1-carboximidamide can inhibit viral replication by interfering with enzyme activity or blocking protein-protein interactions. These findings highlight the compound's potential as a lead molecule in antiviral drug discovery.

In addition to its pharmaceutical applications, 2,4-dichlorobenzene-1-carboximidamide has been explored for its material science applications. The compound's ability to form coordination complexes with metal ions makes it useful in designing metal-organic frameworks (MOFs) and coordination polymers. These materials have potential applications in catalysis, gas storage, and separation technologies.

The synthesis of 2,4-dichlorobenzene-1-carboximidamide typically involves multi-step organic reactions starting from commercially available precursors such as chlorobenzene or aniline derivatives. Advanced synthetic techniques such as cross-coupling reactions and palladium catalysis are often employed to achieve high yields and purity. The optimization of these synthetic routes is crucial for ensuring scalability and cost-effectiveness for industrial applications.

The safety profile of 2,4-dichlorobenzene-1-carboximidamide is another important consideration in its handling and application. While the compound is not classified as hazardous under normal conditions, appropriate safety measures should be taken during its synthesis and use due to its reactivity and potential health effects. Proper ventilation, personal protective equipment (PPE), and adherence to good laboratory practices (GLP) are essential to minimize risks.

In conclusion,2 , 4 - dichlorobenzene - 1 - carboxylimidazole (CAS No . 63124 - 43 - 6 ) is a multifunctional organic compound with broad applications in pharmaceuticals , agrochemicals , and material science . Its unique structural features make it a valuable intermediate for synthesizing bioactive molecules , while its reactivity allows for diverse chemical modifications . Ongoing research continues to uncover new applications for this compound , underscoring its importance in modern chemical research . p >

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