Cas no 97966-69-3 (5,6-DIAMINO-2,2-DIFLUOROBENZODIOXOLE, DIHYDROCHLORIDE)

5,6-DIAMINO-2,2-DIFLUOROBENZODIOXOLE, DIHYDROCHLORIDE structure
97966-69-3 structure
Product Name:5,6-DIAMINO-2,2-DIFLUOROBENZODIOXOLE, DIHYDROCHLORIDE
CAS No:97966-69-3
MF:C7H8Cl2F2N2O2
MW:261.053426742554
MDL:MFCD01320395
CID:827278
PubChem ID:67230531
Update Time:2025-11-02

5,6-DIAMINO-2,2-DIFLUOROBENZODIOXOLE, DIHYDROCHLORIDE Chemical and Physical Properties

Names and Identifiers

    • 5,6-DIAMINO-2,2-DIFLUOROBENZODIOXOLE, DIHYDROCHLORIDE
    • 97966-69-3
    • EN300-202511
    • 2,2-difluoro-1,3-dioxaindane-5,6-diamine dihydrochloride
    • 2,2-difluoro-1,3-benzodioxole-5,6-diamine;dihydrochloride
    • 2,2-Difluoro-2H-1,3-benzodioxole-5,6-diaminedihydrochloride
    • 5,6-Diamino-2,2-difluorobenzodioxole dihydrochloride
    • 2,2-Difluoro-2H-1,3-benzodioxole-5,6-diamine dihydrochloride
    • SCHEMBL1966185
    • MDL: MFCD01320395
    • Inchi: 1S/C7H6F2N2O2.2ClH/c8-7(9)12-5-1-3(10)4(11)2-6(5)13-7;;/h1-2H,10-11H2;2*1H
    • InChI Key: SKOXLEGHXUPGTK-UHFFFAOYSA-N
    • SMILES: Cl.Cl.FC1(OC2C=C(C(=CC=2O1)N)N)F

Computed Properties

  • Exact Mass: 224.01600
  • Monoisotopic Mass: 259.9930892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 195
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 70.5?2

Experimental Properties

  • Melting Point: >300°C
  • Stability/Shelf Life: Light Sensitive
  • PSA: 70.50000
  • LogP: 3.13690

5,6-DIAMINO-2,2-DIFLUOROBENZODIOXOLE, DIHYDROCHLORIDE Pricemore >>

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5,6-DIAMINO-2,2-DIFLUOROBENZODIOXOLE, DIHYDROCHLORIDE Related Literature

Additional information on 5,6-DIAMINO-2,2-DIFLUOROBENZODIOXOLE, DIHYDROCHLORIDE

Comprehensive Overview of 5,6-DIAMINO-2,2-DIFLUOROBENZODIOXOLE, DIHYDROCHLORIDE (CAS No. 97966-69-3)

5,6-DIAMINO-2,2-DIFLUOROBENZODIOXOLE, DIHYDROCHLORIDE (CAS No. 97966-69-3) is a specialized organic compound with significant applications in pharmaceutical research and material science. Its unique molecular structure, featuring diamino and difluorobenzodioxole groups, makes it a valuable intermediate in the synthesis of bioactive molecules. Researchers often explore its potential in drug discovery, particularly in targeting enzymes or receptors where fluorinated compounds exhibit enhanced binding affinity.

The compound's dihydrochloride salt form improves solubility and stability, which is critical for laboratory handling and formulation development. In recent years, the demand for fluorinated compounds like 5,6-DIAMINO-2,2-DIFLUOROBENZODIOXOLE has surged due to their role in designing next-generation therapeutics. This aligns with the growing interest in precision medicine and targeted drug delivery, topics frequently searched in scientific databases and AI-driven platforms.

From a synthetic chemistry perspective, the difluorobenzodioxole core of this compound offers intriguing reactivity patterns. It serves as a scaffold for constructing heterocyclic systems, a hot topic in medicinal chemistry forums. The presence of diamino functionalities further allows for diverse derivatization, enabling researchers to fine-tune physicochemical properties such as lipophilicity and hydrogen-bonding capacity—key factors in optimizing drug-like molecules.

Analytical characterization of CAS No. 97966-69-3 typically involves advanced techniques like NMR spectroscopy, mass spectrometry, and HPLC purity analysis. These methods are frequently discussed in online queries related to compound validation, reflecting the compound's importance in quality control workflows. Its spectral data is often benchmarked against computational predictions, a trending intersection between cheminformatics and experimental chemistry.

In material science applications, the benzodioxole moiety contributes to the development of advanced polymers and electronic materials. Researchers investigating organic semiconductors or fluorescent probes may find this compound particularly relevant. Such applications tie into broader sustainability trends, as fluorinated aromatic systems can enhance material durability while reducing environmental degradation.

Safety and handling protocols for 5,6-DIAMINO-2,2-DIFLUOROBENZODIOXOLE, DIHYDROCHLORIDE follow standard laboratory practices for amino-containing compounds. While not classified as hazardous under normal conditions, proper storage in anhydrous environments is recommended to preserve its reactivity—a practical consideration often queried by synthetic chemists in online technical discussions.

The commercial availability of CAS No. 97966-69-3 through specialty chemical suppliers has expanded its accessibility for academic and industrial researchers. Procurement-related searches often focus on batch-specific certificates of analysis and scalable synthesis routes, indicating the compound's transition from exploratory research to potential development candidates.

Emerging studies suggest potential applications of this compound in bioconjugation chemistry, where its amino groups could serve as attachment points for biomolecules. This aligns with current interests in proteolysis-targeting chimeras (PROTACs) and antibody-drug conjugates (ADCs)—areas generating substantial traffic in scientific search engines.

From an intellectual property standpoint, derivatives of difluorobenzodioxole structures appear in numerous patent filings related to kinase inhibitors and anti-inflammatory agents. This patent landscape analysis frequently surfaces in competitor intelligence searches, highlighting the compound's strategic value in pharmaceutical development.

Environmental fate studies of similar fluorinated compounds contribute to understanding the green chemistry profile of 5,6-DIAMINO-2,2-DIFLUOROBENZODIOXOLE. Researchers increasingly combine structure-activity relationship studies with environmental impact assessments—a dual approach gaining traction in sustainable drug discovery initiatives.

In summary, 5,6-DIAMINO-2,2-DIFLUOROBENZODIOXOLE, DIHYDROCHLORIDE represents a versatile building block with multifaceted applications across chemical sciences. Its continued relevance stems from both its intrinsic molecular properties and its alignment with contemporary research trends in fluorine chemistry and rational drug design.

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