Cas no 84968-04-7 (1-(chloromethyl)-1H-pyrazole)

1-(Chloromethyl)-1H-pyrazole is a versatile heterocyclic compound featuring a reactive chloromethyl group attached to a pyrazole ring. This structural motif makes it a valuable intermediate in organic synthesis, particularly for the preparation of functionalized pyrazole derivatives. The chloromethyl group enables facile nucleophilic substitution reactions, allowing for the introduction of various substituents or further elaboration into more complex structures. Its applications span pharmaceuticals, agrochemicals, and materials science, where pyrazole-based scaffolds are often utilized for their biological activity or coordination properties. The compound is typically handled under inert conditions due to the reactivity of the chloromethyl group. Careful storage and handling are recommended to maintain stability.
1-(chloromethyl)-1H-pyrazole structure
1-(chloromethyl)-1H-pyrazole structure
Product Name:1-(chloromethyl)-1H-pyrazole
CAS No:84968-04-7
MF:C4H5ClN2
MW:116.548899412155
CID:665712
PubChem ID:12248302
Update Time:2025-05-24

1-(chloromethyl)-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole, 1-(chloromethyl)-
    • 1-CHLOROMETHYL-1H-PYRAZOLE
    • 1-(chloromethyl)-1H-pyrazole
    • Inchi: 1S/C4H5ClN2/c5-4-7-3-1-2-6-7/h1-3H,4H2
    • InChI Key: HBSKKAUPEAYDNB-UHFFFAOYSA-N
    • SMILES: ClCN1C=CC=N1

Computed Properties

  • Exact Mass: 116.0141259g/mol
  • Monoisotopic Mass: 116.0141259g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 57.7
  • 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: 0.2
  • Topological Polar Surface Area: 17.8?2

1-(chloromethyl)-1H-pyrazole Pricemore >>

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Additional information on 1-(chloromethyl)-1H-pyrazole

1-(Chloromethyl)-1H-Pyrazole: A Comprehensive Overview

The compound with CAS No 84968-04-7, commonly referred to as 1-(chloromethyl)-1H-pyrazole, is a heterocyclic organic compound that has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science. This compound is characterized by its unique structure, which includes a pyrazole ring substituted with a chloromethyl group. The pyrazole ring itself is a five-membered aromatic structure consisting of two adjacent nitrogen atoms, making it a versatile scaffold for various chemical modifications.

Recent studies have highlighted the potential of 1-(chloromethyl)-1H-pyrazole in drug discovery and development. The pyrazole moiety is known for its ability to form hydrogen bonds and interact with various biological targets, making it a valuable component in the design of bioactive molecules. Researchers have explored the use of this compound as a building block for creating novel pharmaceutical agents, particularly in the areas of anti-inflammatory, antitumor, and antimicrobial therapies.

In terms of synthesis, 1-(chloromethyl)-1H-pyrazole can be prepared through several methods, including the reaction of chloromethylation agents with pyrazole derivatives. One notable approach involves the use of chloroform and alkali metals to introduce the chloromethyl group onto the pyrazole ring. This method has been optimized to achieve high yields and purity, ensuring that the compound is suitable for further applications in research and industry.

The chemical properties of 1-(chloromethyl)-1H-pyrazole make it an attractive candidate for various chemical transformations. For instance, the chloromethyl group can act as an electrophilic site, enabling nucleophilic substitutions with a wide range of reagents. This reactivity has been exploited in the synthesis of more complex molecules, including those with potential biological activity.

From an environmental perspective, understanding the behavior and fate of 1-(chloromethyl)-1H-pyrazole in different ecosystems is crucial for assessing its safety and sustainability. Recent studies have focused on its degradation pathways under various conditions, such as photolysis and microbial action. These investigations are essential for ensuring that the compound does not pose unintended risks to the environment or human health.

In conclusion, 1-(chloromethyl)-1H-pyrazole (CAS No 84968-04-7) is a versatile and intriguing compound with a wide range of applications across multiple disciplines. Its unique chemical properties and structural features continue to make it a subject of interest for researchers seeking to develop innovative solutions in chemistry and related fields.

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