Cas no 108354-38-7 (4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole)

4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole is a halogenated pyrazole derivative with significant utility in synthetic organic chemistry and pharmaceutical research. Its structure features both bromo and chloro substituents, enhancing its reactivity as an intermediate in cross-coupling reactions, nucleophilic substitutions, and heterocyclic synthesis. The presence of a 2-chloroethyl group allows for further functionalization, making it valuable in the development of biologically active compounds. This compound is particularly useful in medicinal chemistry for constructing pyrazole-based scaffolds with potential therapeutic applications. High purity and well-defined reactivity ensure consistent performance in complex synthetic pathways. Proper handling and storage under inert conditions are recommended due to its sensitivity to moisture and light.
4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole structure
108354-38-7 structure
Product Name:4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole
CAS No:108354-38-7
MF:C6H8BrClN2
MW:223.498119354248
MDL:MFCD02855998
CID:1085910
PubChem ID:45791304
Update Time:2025-11-02

4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole
    • 4-bromo-1-(2-chloroethyl)-3-methylpyrazole
    • 4-bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole(SALTDATA: FREE)
    • AG-D-24743
    • Ambcb6548114
    • CTK4A6004
    • MolPort-016-631-713
    • AKOS006338107
    • 108354-38-7
    • MFCD02855998
    • BS-36721
    • DB-367338
    • DTXSID20672526
    • MDL: MFCD02855998
    • Inchi: 1S/C6H8BrClN2/c1-5-6(7)4-10(9-5)3-2-8/h4H,2-3H2,1H3
    • InChI Key: URDUWHKZXWHRRS-UHFFFAOYSA-N
    • SMILES: BrC1=CN(CCCl)N=C1C

Computed Properties

  • Exact Mass: 221.95600
  • Monoisotopic Mass: 221.95594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 112
  • 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: 1.8
  • Topological Polar Surface Area: 17.8?2

Experimental Properties

  • PSA: 17.82000
  • LogP: 2.19280

4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole Customs Data

  • HS CODE:2933199090
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole Pricemore >>

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Additional information on 4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole

4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole (CAS 108354-38-7): A Versatile Heterocyclic Compound for Modern Applications

In the realm of heterocyclic chemistry, 4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole (CAS 108354-38-7) stands out as a structurally unique and functionally diverse compound. This brominated pyrazole derivative has garnered significant attention in recent years due to its potential applications in pharmaceutical research, agrochemical development, and material science. With the increasing demand for specialty chemicals in various industries, understanding the properties and applications of this compound becomes crucial for researchers and industry professionals alike.

The molecular structure of 4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole features a pyrazole core substituted with three distinct functional groups: a bromine atom at the 4-position, a 2-chloroethyl group at the 1-position, and a methyl group at the 3-position. This specific arrangement of substituents contributes to the compound's unique chemical reactivity and makes it a valuable building block in organic synthesis. Recent studies in heterocyclic chemistry have highlighted the importance of such multifunctional pyrazole derivatives in developing novel compounds with tailored properties.

One of the most searched topics in chemical databases relates to the synthetic applications of brominated pyrazoles, and 4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole perfectly fits this research interest. The compound serves as an excellent intermediate for the preparation of various pharmaceutical candidates, particularly in the development of kinase inhibitors and other biologically active molecules. Its reactivity patterns allow for selective modifications at different positions, making it a versatile scaffold for medicinal chemistry programs.

The thermal and chemical stability of 4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole has been a subject of numerous investigations, especially in the context of process chemistry optimization. Researchers frequently search for information about the compound's storage conditions and handling precautions, which are essential considerations for laboratory and industrial applications. Proper understanding of these parameters ensures the compound's effective utilization while maintaining safety standards in chemical operations.

In material science, the electronic properties of pyrazole derivatives have gained considerable attention, with 4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole being no exception. The compound's potential applications in organic electronics and functional materials have been explored, particularly in the development of novel molecular architectures with specific optoelectronic characteristics. This aligns with current trends in sustainable technology and green chemistry initiatives.

The analytical characterization of 4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole typically involves various spectroscopic techniques, including NMR spectroscopy, mass spectrometry, and infrared spectroscopy. These analytical methods are frequently searched by quality control professionals and researchers working with this compound. The availability of comprehensive spectral data facilitates the identification and purity assessment of the material in different research and industrial settings.

Recent advancements in green chemistry methodologies have influenced the synthesis approaches for pyrazole-based compounds. The development of more sustainable routes to prepare 4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole has become an important research direction, addressing the growing demand for environmentally friendly chemical processes. This aspect particularly resonates with current industry trends toward sustainable manufacturing practices.

The global market for specialty pyrazole derivatives has shown steady growth, with 4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole being part of this expanding sector. Market analysts often search for information about the compound's commercial availability, pricing trends, and supply chain dynamics. Understanding these factors helps stakeholders make informed decisions regarding procurement and application development.

From a regulatory perspective, proper documentation and safety data sheets for 4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole are essential resources frequently accessed by professionals in the field. The compound's classification and handling guidelines are important considerations for compliance with various chemical regulations and workplace safety standards across different regions.

Future research directions for 4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole may focus on exploring its potential in emerging fields such as bioconjugation chemistry and targeted drug delivery systems. The compound's multifunctional nature makes it an attractive candidate for these cutting-edge applications, which represent some of the most searched topics in contemporary chemical research.

In conclusion, 4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole (CAS 108354-38-7) represents a valuable chemical entity with diverse applications across multiple scientific disciplines. Its unique structural features and reactivity profile continue to inspire research and development efforts in both academic and industrial settings. As the demand for specialized heterocyclic compounds grows, this brominated pyrazole derivative is poised to maintain its relevance in the evolving landscape of chemical innovation.

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