Cas no 56251-58-2 (6-bromo-2H-1,3-benzodioxol-5-amine)

6-Bromo-2H-1,3-benzodioxol-5-amine is a brominated benzodioxole derivative with an amine functional group at the 5-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its reactive amine and bromine groups allow for further functionalization through cross-coupling reactions, nucleophilic substitutions, or condensation processes. The benzodioxole scaffold contributes to stability and potential bioactivity, making it valuable in medicinal chemistry research. The compound is typically handled under controlled conditions due to its sensitivity. Its purity and structural specificity make it suitable for applications requiring precise molecular modifications. Proper storage and handling are recommended to maintain stability.
6-bromo-2H-1,3-benzodioxol-5-amine structure
56251-58-2 structure
Product Name:6-bromo-2H-1,3-benzodioxol-5-amine
CAS No:56251-58-2
MF:C7H6BrNO2
MW:216.032041072845
CID:3186459
PubChem ID:12222062
Update Time:2025-06-08

6-bromo-2H-1,3-benzodioxol-5-amine Chemical and Physical Properties

Names and Identifiers

    • 1,3-BENZODIOXOL-5-AMINE, 6-BROMO-
    • 6-bromo-2H-1,3-benzodioxol-5-amine
    • 6-bromobenzo[d][1,3]dioxol-5-amine
    • AKOS024086448
    • CS-0210792
    • MFCD12547817
    • Z1489065337
    • 6-bromo-benzo[1,3]dioxol-5-ylamine
    • RIAWWMUJPLZBMT-UHFFFAOYSA-N
    • 6-bromo-1,3-dioxaindan-5-amine
    • 56251-58-2
    • SCHEMBL3073324
    • F1923-0161
    • BS-32564
    • SY345835
    • 6-bromo-1,3-benzodioxol-5-amine
    • EN300-399942
    • G73023
    • Inchi: 1S/C7H6BrNO2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3,9H2
    • InChI Key: RIAWWMUJPLZBMT-UHFFFAOYSA-N
    • SMILES: BrC1=CC2=C(C=C1N)OCO2

Computed Properties

  • Exact Mass: 214.95819g/mol
  • Monoisotopic Mass: 214.95819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 155
  • 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: 1.7
  • Topological Polar Surface Area: 44.5?2

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Additional information on 6-bromo-2H-1,3-benzodioxol-5-amine

Comprehensive Overview of 6-bromo-2H-1,3-benzodioxol-5-amine (CAS No. 56251-58-2)

6-bromo-2H-1,3-benzodioxol-5-amine, identified by its CAS number 56251-58-2, is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This compound belongs to the benzodioxole family, characterized by a fused benzene ring and a dioxole group. The presence of a bromo substituent and an amine functional group makes it a versatile intermediate for synthesizing more complex molecules. Researchers are particularly interested in its potential applications in drug discovery, given its structural similarity to bioactive compounds.

In recent years, the demand for 6-bromo-2H-1,3-benzodioxol-5-amine has surged due to its role in developing novel therapeutic agents. Its CAS No. 56251-58-2 is frequently searched in academic databases and chemical supplier catalogs, reflecting its importance in synthetic chemistry. The compound's unique structure allows for modifications that can enhance pharmacokinetic properties, making it a valuable building block for medicinal chemistry projects. Additionally, its stability and reactivity under mild conditions have made it a favorite among chemists working on heterocyclic compounds.

The synthesis of 6-bromo-2H-1,3-benzodioxol-5-amine typically involves bromination and amination steps, starting from commercially available precursors. Its molecular formula and weight are often discussed in forums and research papers, as these parameters are critical for reaction planning. Environmental and safety considerations are also highlighted in user queries, with many seeking information on its handling precautions and storage conditions. While not classified as hazardous, proper lab practices are recommended to ensure safe usage.

From an SEO perspective, keywords like "6-bromo-2H-1,3-benzodioxol-5-amine supplier," "CAS 56251-58-2 price," and "benzodioxole derivatives" are highly relevant. These terms align with user intent, as they reflect common searches among chemists and procurement specialists. The compound's relevance to green chemistry initiatives is another trending topic, with researchers exploring eco-friendly synthesis routes to minimize waste and energy consumption.

In conclusion, 6-bromo-2H-1,3-benzodioxol-5-amine (CAS No. 56251-58-2) is a pivotal compound in modern organic synthesis. Its applications span across pharmaceuticals, agrochemicals, and material science, driven by its adaptable chemical framework. As interest in custom synthesis and structure-activity relationships grows, this compound will likely remain a focal point in scientific literature and industrial applications.

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