Cas no 64747-82-6 (1-(3-Chloropropyl)-4-fluorobenzene)

1-(3-Chloropropyl)-4-fluorobenzene is a halogenated aromatic compound featuring both a chloropropyl and a fluorine substituent on the benzene ring. This structure makes it a versatile intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and specialty materials. The presence of the reactive 3-chloropropyl group allows for further functionalization through nucleophilic substitution or coupling reactions, while the fluorine atom enhances stability and influences electronic properties. Its well-defined reactivity and compatibility with various synthetic routes make it valuable for constructing complex molecular frameworks. The compound is typically handled under controlled conditions due to its sensitivity to moisture and potential reactivity.
1-(3-Chloropropyl)-4-fluorobenzene structure
64747-82-6 structure
Product Name:1-(3-Chloropropyl)-4-fluorobenzene
CAS No:64747-82-6
MF:C9H10ClF
MW:172.627105236053
CID:417478
PubChem ID:12932083
Update Time:2025-08-03

1-(3-Chloropropyl)-4-fluorobenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-(3-chloropropyl)-4-fluoro-
    • 1-(3-chloropropyl)-4-fluorobenzene
    • BS-32668
    • 64747-82-6
    • MMGVMGXKGNKRAU-UHFFFAOYSA-N
    • AKOS011896106
    • DTXSID50513291
    • SCHEMBL1722292
    • EN300-674811
    • 1-(3-Chloropropyl)-4-fluorobenzene
    • Inchi: 1S/C9H10ClF/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6H,1-2,7H2
    • InChI Key: MMGVMGXKGNKRAU-UHFFFAOYSA-N
    • SMILES: ClCCCC1C=CC(=CC=1)F

Computed Properties

  • Exact Mass: 172.0455062g/mol
  • Monoisotopic Mass: 172.0455062g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 97.7
  • 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: 3.2
  • Topological Polar Surface Area: 0?2

1-(3-Chloropropyl)-4-fluorobenzene Pricemore >>

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Additional information on 1-(3-Chloropropyl)-4-fluorobenzene

Professional Introduction to Compound with CAS No. 64747-82-6 and Product Name: 1-(3-Chloropropyl)-4-fluorobenzene

The compound with the CAS number 64747-82-6 and the product name 1-(3-Chloropropyl)-4-fluorobenzene represents a significant advancement in the field of pharmaceutical chemistry. This compound, characterized by its unique structural features, has garnered attention for its potential applications in drug development and medicinal chemistry. The presence of both a chloropropyl side chain and a fluorobenzene core suggests a multifaceted chemical profile that could be exploited for various biological activities.

In recent years, the integration of fluorine atoms into pharmaceutical molecules has become increasingly prevalent due to their ability to modulate metabolic stability, binding affinity, and overall pharmacokinetic properties. The fluorobenzene moiety in 1-(3-Chloropropyl)-4-fluorobenzene is particularly noteworthy, as it has been shown to enhance the lipophilicity and metabolic resistance of associated compounds. This feature is crucial in the design of drugs that require prolonged circulation or resistance to enzymatic degradation.

The 3-Chloropropyl substituent adds another layer of complexity to the compound's chemical behavior. Chloroalkyl groups are known to influence the electronic properties of aromatic rings and can participate in various interactions with biological targets. This dual functionality makes 1-(3-Chloropropyl)-4-fluorobenzene a promising candidate for further exploration in the development of novel therapeutic agents.

Recent studies have highlighted the importance of structural diversity in drug discovery programs. The combination of a chloropropyl group with a fluorobenzene ring in 1-(3-Chloropropyl)-4-fluorobenzene aligns well with this trend, offering a unique scaffold for medicinal chemists to explore. Researchers have been particularly interested in its potential as an intermediate in the synthesis of more complex molecules with targeted biological activities.

One area where this compound shows promise is in the development of central nervous system (CNS) therapeutics. The lipophilic nature of fluorinated aromatic compounds often enhances their ability to cross the blood-brain barrier, making them suitable for treating neurological disorders. Preliminary studies suggest that derivatives of 1-(3-Chloropropyl)-4-fluorobenzene may exhibit properties conducive to CNS drug delivery.

Additionally, the compound's structural features make it an attractive candidate for investigating its role in modulating enzyme activity. Fluorine-containing compounds are frequently employed as probes to study enzyme mechanisms due to their ability to influence reaction rates and binding affinities. The presence of both chloro and fluoro substituents in 1-(3-Chloropropyl)-4-fluorobenzene could provide valuable insights into enzyme-drug interactions.

The synthesis of 1-(3-Chloropropyl)-4-fluorobenzene involves several key steps that highlight its complexity as a chemical entity. The introduction of the chloropropyl group requires careful control of reaction conditions to ensure high yield and purity. Similarly, the fluorination step must be optimized to achieve regioselectivity and minimize unwanted byproducts. These synthetic challenges underscore the compound's significance as a research tool and potential lead molecule.

In conclusion, 1-(3-Chloropropyl)-4-fluorobenzene (CAS No. 64747-82-6) represents a compelling example of how structural modifications can yield compounds with unique pharmacological profiles. Its combination of a chloropropyl side chain and a fluorobenzene core positions it as a valuable asset in pharmaceutical research. As our understanding of molecular interactions continues to evolve, compounds like this will play an increasingly important role in the discovery and development of new medicines.

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