Cas no 582306-90-9 (2-Chloro-4-fluoro-benzamidine)

2-Chloro-4-fluoro-benzamidine is a substituted benzamidine derivative characterized by the presence of chloro and fluoro functional groups on the aromatic ring. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of heterocyclic compounds and pharmaceutical agents. Its electron-withdrawing substituents enhance reactivity in nucleophilic substitution and condensation reactions, making it valuable for constructing complex molecular frameworks. The compound exhibits stability under standard conditions, ensuring consistent performance in synthetic applications. Its structural features also contribute to potential biological activity, often explored in medicinal chemistry research. Proper handling and storage are recommended due to its reactive amidine moiety.
2-Chloro-4-fluoro-benzamidine structure
2-Chloro-4-fluoro-benzamidine structure
Product Name:2-Chloro-4-fluoro-benzamidine
CAS No:582306-90-9
MF:C7H6ClFN2
MW:172.58734369278
MDL:MFCD05662904
CID:366961
PubChem ID:3626359
Update Time:2025-05-20

2-Chloro-4-fluoro-benzamidine Chemical and Physical Properties

Names and Identifiers

    • Benzenecarboximidamide,2-chloro-4-fluoro-
    • 2-Chloro-4-Fluoro-Benzamidine
    • 2-chloro-4-fluorobenzenecarboximidamide
    • 2-Chloro-4-fluorobenzimidamide
    • Benzenecarboximidamide,2-chloro-4-fluoro
    • CS-0453873
    • BP-11081
    • EN300-1986643
    • DTXSID60394432
    • 2-chlor-4-fluoro-benzamidine
    • SCHEMBL3367318
    • 2-Chloro-4-fluorobenzamidine
    • 2-chloro-4-fluorobenzene-1-carboximidamide
    • AKOS012243739
    • 582306-90-9
    • KESVNOXPDZLHGZ-UHFFFAOYSA-N
    • 2-Chloro-4-fluoro-benzamidine
    • MDL: MFCD05662904
    • Inchi: 1S/C7H6ClFN2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H3,10,11)
    • InChI Key: KESVNOXPDZLHGZ-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=CC=1C(=N)N)F

Computed Properties

  • Exact Mass: 207.99700
  • Monoisotopic Mass: 172.0203541g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 163
  • 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: 49.9?2

Experimental Properties

  • PSA: 49.87000
  • LogP: 3.36520

2-Chloro-4-fluoro-benzamidine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
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TRC
C385595-25mg
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Additional information on 2-Chloro-4-fluoro-benzamidine

2-Chloro-4-fluoro-benzamidine: A Comprehensive Overview

2-Chloro-4-fluoro-benzamidine, with the CAS number 582306-90-9, is a compound of significant interest in the field of organic chemistry and materials science. This compound is characterized by its unique structure, which combines a benzene ring with chlorine and fluorine substituents, along with an amidine functional group. The presence of these substituents imparts distinctive electronic and steric properties to the molecule, making it a valuable component in various chemical and biological applications.

The synthesis of 2-chloro-4-fluoro-benzamidine involves a series of well-established organic reactions. Typically, the starting material is a chlorofluorobenzene derivative, which undergoes nucleophilic substitution or coupling reactions to introduce the amidine group. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing production costs and enhancing the purity of the final product. These improvements are particularly important for applications requiring high precision, such as in pharmaceuticals or advanced materials.

One of the most promising areas of application for 2-chloro-4-fluoro-benzamidine is in drug discovery. The compound's ability to act as a bioisostere or as a scaffold for constructing larger molecules has been leveraged in designing novel therapeutic agents. For instance, studies have shown that derivatives of this compound exhibit potent inhibitory activity against certain enzymes involved in cancer progression. This makes it a potential candidate for developing anti-cancer drugs with improved efficacy and reduced side effects.

In addition to its role in pharmaceuticals, 2-chloro-4-fluoro-benzamidine has found utility in materials science. Its electronic properties make it suitable for use in organic electronics, such as field-effect transistors (FETs) and light-emitting diodes (LEDs). Recent research has demonstrated that incorporating this compound into polymer blends can enhance the electrical conductivity and stability of these materials under various conditions. Such findings open up new possibilities for its use in flexible electronics and energy storage devices.

The chemical stability of 2-chloro-4-fluoro-benzamidine is another factor contributing to its versatility. It exhibits resistance to thermal degradation and chemical corrosion, making it suitable for applications in harsh environments. For example, it has been explored as an additive in high-performance polymers used in aerospace and automotive industries. Its ability to improve mechanical properties without compromising thermal stability has made it a valuable component in composite materials.

From an environmental standpoint, the synthesis and application of 2-chloro-4-fluoro-benzamidine have been optimized to minimize ecological impact. Green chemistry principles have been integrated into its production processes, reducing waste generation and energy consumption. Furthermore, its biodegradability has been studied to ensure that its use does not contribute significantly to environmental pollution.

In conclusion, 2-chloro-4-fluoro-benzamidine, with CAS number 582306-90-9, stands out as a versatile compound with diverse applications across multiple disciplines. Its unique structure, combined with advancements in synthetic methods and application techniques, positions it as a key player in future innovations within chemistry and materials science.

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