Cas no 79326-88-8 (5-Bromo-1-methyl-1H-imidazole-2-carbaldehyde)

5-Bromo-1-methyl-1H-imidazole-2-carbaldehyde is a versatile heterocyclic building block used in organic synthesis and pharmaceutical research. Its key structural features include a reactive aldehyde group and a bromo substituent on the imidazole ring, enabling diverse functionalization through cross-coupling, nucleophilic addition, or condensation reactions. The methyl group at the 1-position enhances stability while maintaining reactivity. This compound is particularly valuable in the development of biologically active molecules, such as kinase inhibitors or antimicrobial agents, due to its ability to serve as a scaffold for further derivatization. It is typically handled under inert conditions to preserve the aldehyde functionality.
5-Bromo-1-methyl-1H-imidazole-2-carbaldehyde structure
79326-88-8 structure
Product Name:5-Bromo-1-methyl-1H-imidazole-2-carbaldehyde
CAS No:79326-88-8
MF:C5H5BrN2O
MW:189.009999990463
MDL:MFCD09027273
CID:562011
PubChem ID:12742276
Update Time:2025-06-10

5-Bromo-1-methyl-1H-imidazole-2-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-1-methyl-1H-imidazole-2-carbaldehyde
    • 1H-Imidazole-2-carboxaldehyde,5-bromo-1-methyl-
    • 5-bromo-1-methylimidazole-2-carbaldehyde
    • 5-Bromo-1-methyl-1H-imidazole-2-carboxaldehyde
    • bromomethylimidazolecarbaldehyde
    • P17173
    • DTXSID50508667
    • PB43478
    • 5-Bromo-2-formyl-1-methyl-1H-imidazole
    • KB-0739
    • J-516812
    • A864879
    • FT-0681154
    • ZFUTWKQTEYLBKA-UHFFFAOYSA-N
    • CS-0050644
    • EN300-316829
    • 79326-88-8
    • AKOS005073193
    • SY097427
    • SCHEMBL3914396
    • MFCD09027273
    • 5-Bromo-1-methyl-1H-imidazole-2-carboxaldehyde (ACI)
    • MDL： MFCD09027273
    • Inchi： 1S/C5H5BrN2O/c1-8-4(6)2-7-5(8)3-9/h2-3H,1H3
    • InChI Key： ZFUTWKQTEYLBKA-UHFFFAOYSA-N
    • SMILES： O=CC1N(C)C(Br)=CN=1

Computed Properties

  • Exact Mass: 187.95900
  • Monoisotopic Mass: 187.95853g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 120
  • 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: 0.8
  • Topological Polar Surface Area: 34.9?2

Experimental Properties

  • Density: 1.73
  • Melting Point: 78-80
  • Boiling Point: 317°C at 760 mmHg
  • Flash Point: 145.5°C
  • Refractive Index: 1.621
  • PSA: 34.89000
  • LogP: 0.99510

5-Bromo-1-methyl-1H-imidazole-2-carbaldehyde Security Information

5-Bromo-1-methyl-1H-imidazole-2-carbaldehyde 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%

5-Bromo-1-methyl-1H-imidazole-2-carbaldehyde Pricemore >>

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