Cas no 59497-19-7 (3-Chloro-benzene-1,2-diamine dihydrochloride)

3-Chloro-benzene-1,2-diamine dihydrochloride structure
59497-19-7 structure
Product Name:3-Chloro-benzene-1,2-diamine dihydrochloride
CAS No:59497-19-7
MF:C6H9Cl3N2
MW:215.508058309555
MDL:MFCD29042771
CID:338463
Update Time:2025-09-26

3-Chloro-benzene-1,2-diamine dihydrochloride Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenediamine, 3-chloro-, dihydrochloride
    • 3-Chloro-benzene-1,2-diamine dihydrochloride
    • 3-chlorobenzene-1,2-diamine dihydrochloride
    • MDL: MFCD29042771
    • Inchi: 1S/C6H7ClN2.2ClH/c7-4-2-1-3-5(8)6(4)9;;/h1-3H,8-9H2;2*1H
    • InChI Key: KWFXRLXRNYSJDB-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1N)N.Cl.Cl

Computed Properties

  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 97.1
  • Topological Polar Surface Area: 52

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Additional information on 3-Chloro-benzene-1,2-diamine dihydrochloride

3-Chloro-benzene-1,2-diamine dihydrochloride (CAS No: 59497-19-7)

3-Chloro-benzene-1,2-diamine dihydrochloride, also known as CAS No: 59497-19-7, is a versatile compound with significant applications in various fields of chemistry and materials science. This compound is a chlorinated derivative of benzene diamine, which has been extensively studied for its unique chemical properties and potential uses in synthesis reactions. The molecule consists of a benzene ring with two amino groups (-NH?) at the 1 and 2 positions and a chlorine atom at the 3 position. The dihydrochloride form indicates that the compound exists as a salt with two hydrochloric acid molecules attached to the nitrogen atoms.

The synthesis of 3-Chloro-benzene-1,2-diamine dihydrochloride typically involves chlorination reactions on benzene diamine derivatives. Recent studies have explored novel methods to optimize the synthesis process, including the use of microwave-assisted synthesis and catalytic systems to enhance reaction efficiency. These advancements have not only improved the yield but also reduced the environmental impact of production processes. Researchers have also investigated the stability and reactivity of this compound under various conditions, providing valuable insights into its behavior in different chemical environments.

In terms of applications, 3-Chloro-benzene-1,2-diamine dihydrochloride has found significant use in the synthesis of heterocyclic compounds, which are essential building blocks in pharmaceuticals and agrochemicals. For instance, recent research has demonstrated its role in the formation of imidazole derivatives, which are widely used in drug development due to their bioactive properties. Additionally, this compound serves as an intermediate in the production of advanced materials such as conductive polymers and metal-organic frameworks (MOFs), which have applications in electronics and catalysis.

The chemical properties of 3-Chloro-benzene-1,2-diamine dihydrochloride make it an attractive candidate for use in electrochemical applications. Studies have shown that its ability to act as a redox-active species makes it suitable for applications in batteries and supercapacitors. Furthermore, its coordination properties with metal ions have been explored for potential use in designing new catalysts for industrial processes.

Recent advancements in computational chemistry have enabled researchers to model the electronic structure and reactivity of 3-Chloro-benzene-1,2-diamine dihydrochloride at a molecular level. These studies have provided deeper insights into its bonding characteristics and reaction mechanisms, paving the way for more efficient utilization in chemical synthesis. Moreover, green chemistry approaches have been adopted to minimize waste and energy consumption during its production, aligning with global sustainability goals.

In conclusion, 3-Chloro-benzene-1,2-diamine dihydrochloride (CAS No: 59497-19-7) is a multifaceted compound with a wide range of applications across various industries. Its unique chemical properties and versatility continue to drive innovative research and development efforts. As advancements in synthetic methods and application areas progress, this compound is poised to play an even more significant role in shaping future technologies.

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