Cas no 23784-89-6 (3-(Chloromethyl)-1H-pyrazole)

3-(Chloromethyl)-1H-pyrazole is a versatile heterocyclic compound featuring a reactive chloromethyl group attached to a pyrazole ring. This structure makes it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and functional materials. The chloromethyl group enables facile nucleophilic substitution reactions, allowing for further derivatization or incorporation into larger molecular frameworks. Its pyrazole core contributes to stability and potential biological activity, making it useful in medicinal chemistry applications. The compound is typically handled under controlled conditions due to its reactivity, and its purity is critical for consistent performance in synthetic workflows. Proper storage in a cool, dry environment is recommended to maintain stability.
3-(Chloromethyl)-1H-pyrazole structure
3-(Chloromethyl)-1H-pyrazole structure
Product Name:3-(Chloromethyl)-1H-pyrazole
CAS No:23784-89-6
MF:C4H5ClN2
MW:116.548899412155
MDL:MFCD08436147
CID:1036903
PubChem ID:13334799
Update Time:2025-05-21

3-(Chloromethyl)-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 3-(Chloromethyl)-1H-pyrazole
    • 3-(Chloromethyl)isoxazole
    • 3-(Chloromethyl)pyrazole
    • 3-Chlormethyl-1(2)H-pyrazol
    • 3-Chlormethyl-isoxazol
    • 3-Chlormethyl-pyrazol
    • 3-chloromethyl-1(2)H-pyrazole
    • 3-Chloromethyl-1H-pyrazole
    • 3-isoxazolylmethyl chloride
    • 3-pyrazolylmethyl chloride
    • Isoxazole,3-(chloromethyl)
    • 23784-89-6
    • 5-(chloromethyl)-1H-pyrazole
    • PZIHQZWEGCWSHF-UHFFFAOYSA-N
    • 3-Chloromethylpyrazole
    • AKOS015902720
    • AB44943
    • EN300-42827
    • CHEMBL3275946
    • 1-pyrazolylmethylchloride
    • AKOS005362479
    • 1H-Pyrazole, 3-(chloromethyl)-
    • chloromethyl-pyrazole
    • SCHEMBL869315
    • AS-0769
    • ALBB-034100
    • MDL: MFCD08436147
    • Inchi: 1S/C4H5ClN2/c5-3-4-1-2-6-7-4/h1-2H,3H2,(H,6,7)
    • InChI Key: PZIHQZWEGCWSHF-UHFFFAOYSA-N
    • SMILES: ClCC1=CC=NN1

Computed Properties

  • Exact Mass: 116.01400
  • Monoisotopic Mass: 116.0141259g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • 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: 0.6
  • Topological Polar Surface Area: 28.7?2

Experimental Properties

  • PSA: 28.68000
  • LogP: 1.14850

3-(Chloromethyl)-1H-pyrazole Pricemore >>

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NAN JING YAO SHI KE JI GU FEN Co., Ltd.
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3-(Chloromethyl)-1H-pyrazole Production Method

Additional information on 3-(Chloromethyl)-1H-pyrazole

Comprehensive Overview of 3-(Chloromethyl)-1H-pyrazole (CAS No. 23784-89-6): Properties, Applications, and Industry Insights

3-(Chloromethyl)-1H-pyrazole (CAS No. 23784-89-6) is a versatile heterocyclic compound with a molecular formula of C4H5ClN2. This chloromethyl-substituted pyrazole derivative has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. The presence of both a reactive chloromethyl group and a pyrazole ring makes it a valuable intermediate for synthesizing more complex molecules. Recent studies highlight its potential in developing novel crop protection agents and biologically active compounds, aligning with the growing demand for sustainable agricultural solutions.

In the context of modern drug discovery, 3-(Chloromethyl)-1H-pyrazole serves as a key building block for small molecule therapeutics. Its molecular structure allows for diverse modifications, enabling researchers to create targeted compounds for various biological applications. The compound's physicochemical properties, including its solubility profile and stability under different conditions, make it particularly useful in medicinal chemistry. Recent publications have explored its role in developing enzyme inhibitors, addressing one of the most searched topics in pharmaceutical R&D circles.

The synthesis of 3-(Chloromethyl)-1H-pyrazole typically involves multistep organic reactions, with careful control of reaction parameters to ensure high yield and purity. Advanced chromatographic techniques and spectroscopic methods (including NMR and mass spectrometry) are employed for characterization, reflecting the compound's importance in high-value chemical production. Industry experts frequently search for optimized synthesis protocols for this compound, underscoring its commercial relevance.

From an industrial perspective, 23784-89-6 has shown promise in material science applications. Its incorporation into functional polymers and coating formulations has been investigated for creating materials with enhanced properties. This aligns with current market trends toward smart materials and surface modification technologies, topics that consistently rank high in chemical industry searches. The compound's reactivity profile makes it suitable for creating cross-linked networks in polymer chemistry.

Quality control of 3-(Chloromethyl)-1H-pyrazole requires stringent analytical methodologies. Modern laboratories utilize HPLC and GC-MS techniques to verify purity and identify potential impurities. This aspect is particularly crucial for GMP-compliant production, a frequently searched term among chemical manufacturers. The compound's storage conditions and handling requirements are also common queries, reflecting user concerns about material integrity during research and production processes.

Emerging applications of CAS 23784-89-6 in bioconjugation chemistry have opened new possibilities in diagnostic reagent development. The chloromethyl group serves as an effective linking moiety for attaching various biomolecules, making it valuable in assay development and biomedical research. This application area has seen increased search volume as the diagnostics market expands globally.

Environmental considerations regarding 3-(Chloromethyl)-1H-pyrazole derivatives have prompted research into green chemistry alternatives for its synthesis. The development of catalytic processes and solvent-free reactions represents an active area of investigation, addressing the chemical industry's shift toward sustainable practices. These topics consistently appear in academic literature searches and industry forums, reflecting their relevance to current chemical innovation trends.

The global market for pyrazole derivatives like 23784-89-6 continues to grow, driven by demand from pharmaceutical and agrochemical sectors. Market analysis reports frequently highlight the compound's commercial potential, making it a subject of interest for chemical investors and business analysts. Proper intellectual property protection for novel applications remains a key consideration, as evidenced by numerous patent filings related to this chemical entity.

In analytical chemistry, 3-(Chloromethyl)-1H-pyrazole serves as a valuable reference standard and calibration material for various spectroscopic techniques. Laboratories frequently search for high-purity standards of this compound to ensure accurate method validation in their analytical workflows. The compound's well-defined spectral characteristics make it particularly useful for instrument calibration purposes.

Future research directions for CAS No. 23784-89-6 may explore its potential in catalysis and energy storage applications. Preliminary studies suggest possible utility in battery electrolyte formulations and electrocatalysts, areas that have seen exponential growth in scientific literature searches. The compound's electronic properties and redox characteristics warrant further investigation for these emerging applications.

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