Cas no 164648-88-8 (Benzenemethanamine, 4-amino-3-fluoro-)

Technical Introduction: Benzenemethanamine, 4-amino-3-fluoro- Benzenemethanamine, 4-amino-3-fluoro-, is a fluorinated aromatic amine derivative characterized by the presence of both an amino and a fluoro substituent on the benzene ring. This structure imparts unique electronic and steric properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The fluorine atom enhances metabolic stability and bioavailability, while the amino group provides a reactive site for further functionalization. Its precise substitution pattern allows for selective modifications in drug discovery and material science applications. The compound is typically handled under controlled conditions due to its reactivity. High purity grades are available to meet rigorous research and industrial requirements.
Benzenemethanamine, 4-amino-3-fluoro- structure
164648-88-8 structure
Product Name:Benzenemethanamine, 4-amino-3-fluoro-
CAS No:164648-88-8
MF:C7H9FN2
MW:140.158164739609
CID:1345506
PubChem ID:11708155
Update Time:2025-05-22

Benzenemethanamine, 4-amino-3-fluoro- Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanamine, 4-amino-3-fluoro-
    • 4-(Aminomethyl)-2-fluoroaniline
    • AB50278
    • MFCD09263965
    • 164648-88-8
    • AKOS011384035
    • DB-348778
    • C90556
    • EN300-6186379
    • 4-Amino-3-fluorobenzylamine, 95%
    • SCHEMBL3360093
    • 4-AMINO-3-FLUOROBENZYLAMINE
    • SB75495
    • Inchi: 1S/C7H9FN2/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,4,9-10H2
    • InChI Key: YSXWSLITLDXLCG-UHFFFAOYSA-N
    • SMILES: FC1=C(C=CC(=C1)CN)N

Computed Properties

  • Exact Mass: 140.07507
  • Monoisotopic Mass: 140.07497646g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 108
  • 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: 0.2
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • PSA: 52.04

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Additional information on Benzenemethanamine, 4-amino-3-fluoro-

Benzenemethanamine, 4-amino-3-fluoro-

Benzenemethanamine, 4-amino-3-fluoro-, also known by its CAS number CAS No. 164648-88-8, is a compound of significant interest in the fields of organic chemistry and materials science. This compound is a derivative of benzene, featuring an amino group (-NH2) at the 4-position and a fluorine atom at the 3-position. The presence of these substituents imparts unique chemical and physical properties to the molecule, making it a valuable compound for various applications.

The structure of Benzenemethanamine, 4-amino-3-fluoro- consists of a benzene ring with two substituents: an amino group at the para position (position 4) and a fluorine atom at the meta position (position 3). The amino group is highly nucleophilic, which makes this compound reactive in various chemical reactions. The fluorine atom introduces electron-withdrawing effects, which can influence the electronic properties of the molecule and its reactivity in different environments.

Recent studies have highlighted the potential of Benzenemethanamine, 4-amino-3-fluoro- in the development of advanced materials. For instance, researchers have explored its use as a precursor for synthesizing conducting polymers and high-performance adhesives. The amino group's nucleophilicity allows for easy functionalization, enabling the incorporation of this compound into larger molecular frameworks.

In terms of physical properties, Benzenemethanamine, 4-amino-3-fluoro- has a melting point of approximately 150°C and a boiling point around 250°C under standard conditions. Its solubility in common solvents such as water and ethanol is moderate, which makes it suitable for use in various solution-based chemical processes. The compound is stable under normal storage conditions but may degrade under harsh acidic or basic conditions.

The synthesis of Benzenemethanamine, 4-amino-3-fluoro- typically involves multi-step reactions starting from benzene derivatives. One common approach is the Friedel-Crafts alkylation followed by selective substitution to introduce the amino and fluorine groups. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses of this compound.

Benzenemethanamine, 4-amino-3-fluoro- finds applications in diverse fields. In pharmaceuticals, it serves as an intermediate in drug synthesis due to its ability to form stable bonds with other molecules. In the electronics industry, it is used as a precursor for manufacturing high-performance semiconductors and optoelectronic devices. Additionally, it plays a role in agrochemicals as an active ingredient in certain pesticides.

Recent research has focused on enhancing the bioavailability and stability of derivatives of CAS No. 164648-88-8. Scientists have developed novel formulations that improve its solubility and reduce potential side effects when used in therapeutic applications. These advancements have opened new avenues for its use in targeted drug delivery systems.

In conclusion, Benzenemethanamine, 4-amino-3-fluoro-, with its unique chemical structure and versatile properties, continues to be a focal point for researchers across multiple disciplines. Its role as a building block for advanced materials and pharmaceuticals underscores its importance in modern chemistry. As ongoing studies reveal new insights into its potential applications, this compound is poised to contribute significantly to future technological advancements.

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