Cas no 78667-04-6 (2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride)

2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride is a versatile heterocyclic compound featuring a reactive chloromethyl group and an imidazole core. Its structural properties make it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and functionalized imidazole derivatives. The hydrochloride salt enhances stability and solubility, facilitating handling and storage. The compound’s reactivity allows for selective modifications, enabling applications in nucleophilic substitution reactions and the synthesis of biologically active molecules. Its well-defined crystalline form ensures consistent purity, making it suitable for research and industrial-scale processes requiring precise chemical building blocks.
2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride structure
78667-04-6 structure
Product Name:2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride
CAS No:78667-04-6
MF:C5H8Cl2N2
MW:167.036418914795
MDL:MFCD00234118
CID:562515
PubChem ID:2795406
Update Time:2025-10-20

2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride
    • 1H-Imidazole,2-(chloromethyl)-1-methyl-, hydrochloride (1:1)
    • 2-(Chloromethyl)-1-methyl-1Himidazole hydrochloride
    • 2-(chloromethyl)-1-methylimidazole,hydrochloride
    • 2-(chloromethyl)-1-methylimidazole hydrochloride
    • 2-chloromethyl-1-methyl-1H-imidazole hydrochloride
    • 1H-Imidazole, 2-(chloromethyl)-1-methyl-, monohydrochloride
    • JDIPKQBKSBWIKU-UHFFFAOYSA-N
    • SBB088045
    • RP02501
    • 2-Chloromethyl-1-methyl-1H-imidazole HCl
    • R2722
    • 2-Chloromethyl-1-methyl-1H-imidazole x HCl
    • 78667-04-6
    • 1-methyl-2-chloromethylimidazole hydrochloride
    • 2-(chloromethyl)-1-methylimidazole;hydrochloride
    • 2-chloromethyl-1-methyl imidazole hydrochloride
    • Z90122361
    • 2-chloromethyl-1-methylimidazole hydrochloride
    • EN300-13275
    • F8880-0684
    • FT-0608751
    • AC-28879
    • SCHEMBL311954
    • J-506282
    • 2-(Chloromethyl)-1-methyl-1h-imidazole, HCl
    • AMY12144
    • 2-(chloromethyl)-1-methyl-1h-imidazolehydrochloride
    • MFCD00234118
    • 2-(CHLOROMETHYL)-1-METHYL-1H-IMIDAZOLE HCL
    • BP-10783
    • F17325
    • DTXSID30383656
    • AKOS008044401
    • SY101385
    • DB-004622
    • MDL: MFCD00234118
    • Inchi: 1S/C5H7ClN2.ClH/c1-8-3-2-7-5(8)4-6;/h2-3H,4H2,1H3;1H
    • InChI Key: JDIPKQBKSBWIKU-UHFFFAOYSA-N
    • SMILES: ClCC1=NC=CN1C.Cl

Computed Properties

  • Exact Mass: 166.00600
  • Monoisotopic Mass: 166.006
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 76.8
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 17.8

Experimental Properties

  • Melting Point: 153-157 oC
  • Boiling Point: 243.7°C at 760 mmHg
  • Flash Point: 101.2°C
  • PSA: 17.82000
  • LogP: 1.96090

2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride Security Information

2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride Customs Data

  • HS CODE:2933290090
  • Customs Data:

    China Customs Code:

    2933290090

    Overview:

    2933290090. Other compounds with non fused imidazole ring in structure. 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:

    2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride

Comprehensive Overview of 2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride (CAS No. 78667-04-6)

2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride (CAS No. 78667-04-6) is a versatile chemical compound widely utilized in pharmaceutical synthesis, agrochemical production, and specialty material applications. Its unique molecular structure, featuring a reactive chloromethyl group and a methyl-imidazole backbone, enables it to serve as a key intermediate in the development of biologically active molecules. Researchers and industry professionals frequently search for this compound due to its role in drug discovery, heterocyclic chemistry, and catalysis.

The growing demand for imidazole derivatives in modern chemistry has positioned 2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride as a focal point for innovation. Recent trends highlight its application in green chemistry initiatives, where its efficiency in multi-step synthesis reduces waste and energy consumption. Common search queries related to this compound include "78667-04-6 solubility," "imidazole hydrochloride stability," and "synthetic routes for chloromethyl imidazoles," reflecting its technical relevance.

From a structural perspective, the compound’s hydrochloride salt form enhances its stability and solubility in polar solvents, making it ideal for laboratory and industrial processes. Analytical techniques such as HPLC, NMR, and mass spectrometry are often employed to verify its purity, a critical factor for high-yield reactions. Discussions in academic forums frequently address its compatibility with cross-coupling reactions and N-alkylation protocols, underscoring its adaptability.

In the context of pharmaceutical intermediates, 2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride is pivotal for constructing azole-based APIs (Active Pharmaceutical Ingredients). Its utility extends to antifungal agents and kinase inhibitors, aligning with the surge in targeted therapies. Searches for "imidazole HCl safety data" and "scaling up chloromethyl imidazole synthesis" indicate user interest in both safety and scalability.

Environmental and regulatory considerations further drive interest in this compound. Its role in biodegradable chelators and low-toxicity catalysts resonates with sustainability goals. Manufacturers emphasize GMP-compliant production to meet global standards, while researchers explore its potential in CO2 capture technologies—a hot topic in climate-related chemistry.

To conclude, 2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride (CAS 78667-04-6) exemplifies the intersection of synthetic efficiency and application diversity. Its prominence in peer-reviewed studies and patent filings confirms its enduring value across scientific disciplines. Future developments may focus on flow chemistry integration and AI-driven reaction optimization, addressing the evolving needs of chemists worldwide.

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