Cas no 1360963-03-6 (4-bromo-5-methyl-1H-1,3-benzodiazole)

4-Bromo-5-methyl-1H-1,3-benzodiazole is a heterocyclic organic compound featuring a benzodiazole core substituted with a bromine atom at the 4-position and a methyl group at the 5-position. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for the development of biologically active molecules. The bromine substituent enhances reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling efficient derivatization. Its methyl group contributes to steric and electronic modulation, influencing binding affinity in target applications. The compound is characterized by high purity and stability, ensuring reliable performance in synthetic workflows. Suitable for research and industrial-scale applications, it offers versatility in medicinal chemistry and material science.
4-bromo-5-methyl-1H-1,3-benzodiazole structure
1360963-03-6 structure
Product Name:4-bromo-5-methyl-1H-1,3-benzodiazole
CAS No:1360963-03-6
MF:C8H7BrN2
MW:211.058580636978
CID:4593205
PubChem ID:86767409
Update Time:2025-06-15

4-bromo-5-methyl-1H-1,3-benzodiazole Chemical and Physical Properties

Names and Identifiers

    • 4-bromo-5-methyl-1H-1,3-benzodiazole
    • 4-bromo-5-methyl-1H-benzimidazole
    • 4-Bromo-5-methylbenzimidazole
    • 4-Bromo-5-methyl-1H-benzo[d]imidazole
    • Inchi: 1S/C8H7BrN2/c1-5-2-3-6-8(7(5)9)11-4-10-6/h2-4H,1H3,(H,10,11)
    • InChI Key: ILQTVYOOUXZJHF-UHFFFAOYSA-N
    • SMILES: BrC1=C(C)C=CC2=C1N=CN2

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 151
  • XLogP3: 2.5
  • Topological Polar Surface Area: 28.7

4-bromo-5-methyl-1H-1,3-benzodiazole Pricemore >>

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