Cas no 647037-27-2 (1-(chloromethyl)-2-fluoro-3-methylbenzene)

1-(Chloromethyl)-2-fluoro-3-methylbenzene is a fluorinated aromatic compound featuring a chloromethyl substituent, offering versatile reactivity for synthetic applications. Its structure combines electrophilic (chloromethyl) and sterically influenced (fluoro and methyl) groups, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The presence of both chlorine and fluorine enhances its utility in cross-coupling reactions and nucleophilic substitutions, while the methyl group can influence regioselectivity. This compound is particularly useful in the preparation of complex molecules requiring selective functionalization. High purity and stability under controlled conditions ensure consistent performance in fine chemical manufacturing. Proper handling is advised due to its reactive chloromethyl group.
1-(chloromethyl)-2-fluoro-3-methylbenzene structure
647037-27-2 structure
Product Name:1-(chloromethyl)-2-fluoro-3-methylbenzene
CAS No:647037-27-2
MF:C8H8ClF
MW:158.600524902344
MDL:MFCD11110040
CID:500232
PubChem ID:21162806
Update Time:2025-06-11

1-(chloromethyl)-2-fluoro-3-methylbenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-(chloromethyl)-2-fluoro-3-methyl-
    • 1-(chloromethyl)-2-fluoro-3-methylbenzene
    • 2-Fluoro-3-methylbenzylchloride
    • AG-G-43019
    • CTK5C1614
    • SureCN8343195
    • E70216
    • 2-Fluoro-3-methylbenzyl chloride
    • 647037-27-2
    • SCHEMBL8343195
    • SY269654
    • MFCD11110040
    • DTXSID40611119
    • EN300-1104805
    • AKOS006308189
    • DS-020495
    • MDL: MFCD11110040
    • Inchi: 1S/C8H8ClF/c1-6-3-2-4-7(5-9)8(6)10/h2-4H,5H2,1H3
    • InChI Key: KIXKPLUFGGYZPN-UHFFFAOYSA-N
    • SMILES: ClCC1C=CC=C(C)C=1F

Computed Properties

  • Exact Mass: 158.02994
  • Monoisotopic Mass: 158.0298561g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 105
  • 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: 2.8
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0

1-(chloromethyl)-2-fluoro-3-methylbenzene Pricemore >>

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Additional information on 1-(chloromethyl)-2-fluoro-3-methylbenzene

1-(chloromethyl)-2-fluoro-3-methylbenzene: An Overview of a Versatile Chemical Compound

1-(chloromethyl)-2-fluoro-3-methylbenzene, with the CAS number 647037-27-2, is a multifaceted chemical compound that has garnered significant attention in the fields of organic synthesis, pharmaceutical research, and materials science. This compound is characterized by its unique molecular structure, which includes a chloromethyl group, a fluorine atom, and a methyl group attached to a benzene ring. The combination of these functional groups endows the molecule with a range of chemical properties that make it valuable for various applications.

The chloromethyl group in 1-(chloromethyl)-2-fluoro-3-methylbenzene is particularly noteworthy due to its reactivity. Chloromethyl groups are known for their ability to undergo nucleophilic substitution reactions, making them useful intermediates in the synthesis of more complex molecules. This reactivity is further enhanced by the presence of the fluorine atom, which can influence the electronic properties of the molecule and affect its reactivity in different chemical environments.

The fluorine atom in 1-(chloromethyl)-2-fluoro-3-methylbenzene imparts unique physical and chemical properties to the compound. Fluorine is the most electronegative element, and its presence can significantly alter the polarity and stability of molecules. In pharmaceutical research, fluorinated compounds are often used to improve the bioavailability and metabolic stability of drugs. The fluorine atom in this compound could potentially enhance its biological activity and make it a valuable candidate for drug development.

The methylbenzene backbone provides additional structural diversity and stability to 1-(chloromethyl)-2-fluoro-3-methylbenzene. The methyl group can influence the conformational flexibility of the molecule and affect its interactions with other molecules. This structural feature makes the compound suitable for use in various synthetic routes and as a building block for more complex organic molecules.

In recent years, there has been increasing interest in the use of 1-(chloromethyl)-2-fluoro-3-methylbenzene in pharmaceutical research. Studies have shown that this compound can serve as a versatile intermediate in the synthesis of novel drugs with potential therapeutic applications. For example, researchers have explored its use in the development of antiviral agents, where its unique combination of functional groups can enhance the antiviral activity and reduce side effects.

Beyond pharmaceutical applications, 1-(chloromethyl)-2-fluoro-3-methylbenzene has also found use in materials science. Its reactivity and structural diversity make it an attractive candidate for the synthesis of advanced materials with tailored properties. For instance, it can be used as a monomer in polymer synthesis to create polymers with enhanced thermal stability and mechanical strength. These polymers have potential applications in areas such as electronics, coatings, and adhesives.

The synthesis of 1-(chloromethyl)-2-fluoro-3-methylbenzene typically involves several steps, including the introduction of the chloromethyl group, fluorination, and methylation. Recent advancements in synthetic methods have made it possible to produce this compound with high purity and yield. These improvements have facilitated its broader application in research and industrial settings.

In conclusion, 1-(chloromethyl)-2-fluoro-3-methylbenzene, CAS number 647037-27-2, is a versatile chemical compound with a wide range of applications in organic synthesis, pharmaceutical research, and materials science. Its unique combination of functional groups makes it an attractive intermediate for the development of novel drugs and advanced materials. As research continues to uncover new possibilities for this compound, its importance in various scientific fields is likely to grow further.

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