Cas no 886761-65-5 (3-Chloro-2,4-difluorobenzylamine)

3-Chloro-2,4-difluorobenzylamine structure
886761-65-5 structure
Product Name:3-Chloro-2,4-difluorobenzylamine
CAS No:886761-65-5
MF:C7H6ClF2N
MW:177.579047679901
MDL:MFCD06660335
CID:93185
PubChem ID:17750823
Update Time:2025-07-21

3-Chloro-2,4-difluorobenzylamine Chemical and Physical Properties

Names and Identifiers

    • (3-Chloro-2,4-difluorophenyl)methanamine
    • 3-Chloro-2,4-difluorobenzylamine
    • JRD-1978
    • EN300-1968051
    • DS-6152
    • MFCD06660335
    • SCHEMBL1765164
    • 1-(3-Chloro-2,4-difluorophenyl)methanamine
    • 886761-65-5
    • 3-Chloro-2,4-difluorobenzylamine, AldrichCPR
    • AKOS015956664
    • DTXSID50590704
    • DB-353365
    • G15640
    • MDL: MFCD06660335
    • Inchi: 1S/C7H6ClF2N/c8-6-5(9)2-1-4(3-11)7(6)10/h1-2H,3,11H2
    • InChI Key: PIIMDRFSWYVCLQ-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=CC(=C1F)CN)F

Computed Properties

  • Exact Mass: 177.01600
  • Monoisotopic Mass: 177.0156832g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 134
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.6
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 220.5±35.0 °C at 760 mmHg
  • Flash Point: 87.2±25.9 °C
  • Refractive Index: 1.5195
  • Water Partition Coefficient: Slightly miscible with water.
  • PSA: 26.02000
  • LogP: 2.77720
  • Sensitiveness: Air Sensitive
  • Vapor Pressure: 0.1±0.4 mmHg at 25°C

3-Chloro-2,4-difluorobenzylamine Security Information

3-Chloro-2,4-difluorobenzylamine Pricemore >>

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Additional information on 3-Chloro-2,4-difluorobenzylamine

Comprehensive Overview of 3-Chloro-2,4-difluorobenzylamine (CAS No. 886761-65-5)

3-Chloro-2,4-difluorobenzylamine (CAS No. 886761-65-5) is a versatile organic compound widely utilized in pharmaceutical and agrochemical research. Its unique molecular structure, featuring a chloro and difluoro substitution pattern on the benzene ring, makes it a valuable intermediate in the synthesis of bioactive molecules. Researchers and industries are increasingly interested in this compound due to its potential applications in drug discovery and material science.

The growing demand for fluorinated compounds in modern chemistry has placed 3-Chloro-2,4-difluorobenzylamine in the spotlight. Fluorinated aromatic amines, like this one, are critical for developing high-performance materials and active pharmaceutical ingredients (APIs). With the rise of green chemistry and sustainable synthesis methods, scientists are exploring eco-friendly routes to produce such compounds, aligning with global environmental concerns.

One of the most searched questions related to CAS No. 886761-65-5 is its synthetic pathway and purity standards. High-purity 3-Chloro-2,4-difluorobenzylamine is essential for reproducible results in research and industrial applications. Advanced analytical techniques, such as HPLC and NMR spectroscopy, are employed to ensure its quality, meeting the stringent requirements of regulatory bodies.

Another trending topic is the solubility and stability of 3-Chloro-2,4-difluorobenzylamine under various conditions. Understanding these properties is crucial for optimizing reaction conditions in organic synthesis. Researchers often seek data on its behavior in polar and non-polar solvents, as well as its compatibility with common reagents used in cross-coupling reactions and reductive amination.

The compound’s role in medicinal chemistry is another area of interest. Its structural motif is found in several drug candidates targeting central nervous system (CNS) disorders and infectious diseases. The chloro-difluoro substitution enhances the metabolic stability of these molecules, a key factor in drug design. This has led to a surge in patents and publications featuring 886761-65-5 as a building block.

In the context of industrial applications, 3-Chloro-2,4-difluorobenzylamine is gaining traction in the development of advanced materials, such as liquid crystals and polymers. Its ability to modify electronic and steric properties makes it a valuable component in functional materials. Companies specializing in fine chemicals are investing in scalable production methods to meet the rising demand.

Safety and handling of 3-Chloro-2,4-difluorobenzylamine are also frequently discussed. While it is not classified as a hazardous substance, proper storage and handling protocols are necessary to maintain its integrity. Users often search for guidelines on storage temperature, shelf life, and compatible packaging materials to ensure long-term usability.

Looking ahead, the future of 886761-65-5 appears promising, with ongoing research exploring its potential in catalysis and nanotechnology. As the scientific community continues to uncover new applications, this compound is poised to play a pivotal role in advancing chemical innovation. Its adaptability and relevance in cutting-edge research make it a subject of enduring interest.

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