Cas no 880874-38-4 (Benzenecarboximidamide, 2-fluoro-N,4-dihydroxy-)

Benzenecarboximidamide, 2-fluoro-N,4-dihydroxy- structure
880874-38-4 structure
Product Name:Benzenecarboximidamide, 2-fluoro-N,4-dihydroxy-
CAS No:880874-38-4
MF:C7H7FN2O2
MW:170.141084909439
MDL:MFCD05663142
CID:582156
PubChem ID:135607737
Update Time:2025-11-02

Benzenecarboximidamide, 2-fluoro-N,4-dihydroxy- Chemical and Physical Properties

Names and Identifiers

    • 2-Fluoro-N,4-dihydroxybenzimidamide
    • 2-fluoro-N,4-dihydroxy-Benzenecarboximidamide
    • Benzenecarboximidamide, 2-fluoro-N,4-dihydroxy-
    • 2-FLUORO-4,N-DIHYDROXY-BENZAMIDINE
    • VZ24658
    • ST24022250
    • BenzenecarboxiMidaMide,2-fluoro-N,4-dihydroxy-
    • 2-fluoro-N,4-dihydroxybenzene-1-carboximidamide
    • 4-[amino-(hydroxyamino)methylidene]-3-fluorocyclohexa-2,5-dien-1-one
    • (4E)-4-[amino-(hydroxyamino)methylidene]-3-fluorocyclohexa-2,5-dien-1-one
    • 2-Fluoro-N,4-dihydroxybenzenecarboximidamide (ACI)
    • SCHEMBL3455630
    • EN300-1599760
    • DS-2553
    • AKOS016007278
    • 880874-38-4
    • SCHEMBL10180582
    • 2-fluoro-N',4-dihydroxybenzenecarboximidamide
    • (Z)-2-fluoro-N',4-dihydroxybenzene-1-carboximidamide
    • MDL: MFCD05663142
    • Inchi: 1S/C7H7FN2O2/c8-6-3-4(11)1-2-5(6)7(9)10-12/h1-3,11-12H,(H2,9,10)
    • InChI Key: YTVSBOYFDCNZMD-UHFFFAOYSA-N
    • SMILES: FC1C(C(NO)=N)=CC=C(O)C=1

Computed Properties

  • Exact Mass: 170.04915563g/mol
  • Monoisotopic Mass: 170.04915563g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 186
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 78.8
  • XLogP3: 0.8

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 325.8±52.0 °C at 760 mmHg
  • Flash Point: 150.8±30.7 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

Benzenecarboximidamide, 2-fluoro-N,4-dihydroxy- Security Information

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Additional information on Benzenecarboximidamide, 2-fluoro-N,4-dihydroxy-

Comprehensive Overview of Benzenecarboximidamide, 2-fluoro-N,4-dihydroxy- (CAS No. 880874-38-4)

Benzenecarboximidamide, 2-fluoro-N,4-dihydroxy- (CAS No. 880874-38-4) is a fluorinated aromatic compound with significant potential in pharmaceutical and biochemical research. Its unique structure, featuring a fluoro substituent and dual hydroxyl groups, makes it a valuable intermediate in drug discovery and organic synthesis. Researchers are increasingly interested in its applications due to its ability to modulate biological activity, particularly in targeting enzymes and receptors involved in metabolic pathways.

The compound’s 2-fluoro-N,4-dihydroxy configuration enhances its reactivity and binding affinity, which is critical for designing small-molecule inhibitors and therapeutic agents. Recent studies highlight its role in developing treatments for inflammatory and oxidative stress-related conditions, aligning with the growing demand for precision medicine and targeted therapies. Its CAS No. 880874-38-4 is frequently searched in academic databases, reflecting its relevance in cutting-edge research.

From an industrial perspective, Benzenecarboximidamide, 2-fluoro-N,4-dihydroxy- is synthesized through advanced organic chemistry techniques, including catalytic fluorination and hydroxylation. Its purity and stability are paramount for reproducibility in experiments, a topic often discussed in QA/QC forums and research publications. Environmental and safety considerations are also emphasized, as sustainable synthesis methods gain traction in the chemical industry.

In the context of AI-driven drug discovery, this compound has garnered attention for its compatibility with machine learning models predicting molecular interactions. Computational chemists leverage its structural features to optimize ADMET properties (absorption, distribution, metabolism, excretion, and toxicity), a hot topic in pharmaceutical R&D. Searches for "fluoroaromatic compounds in drug design" or "CAS 880874-38-4 applications" reveal its interdisciplinary importance.

Furthermore, Benzenecarboximidamide, 2-fluoro-N,4-dihydroxy- is explored in material science for developing functional polymers and coatings. Its ability to form hydrogen bonds and resist degradation under UV exposure makes it suitable for high-performance materials. This versatility answers frequent queries about "innovative chemical building blocks" and "multifunctional aromatic compounds."

To summarize, CAS No. 880874-38-4 represents a nexus of chemistry, biology, and technology. Its nomenclature—2-fluoro-N,4-dihydroxybenzenecarboximidamide—may seem complex, but each functional group unlocks distinct research avenues. As scientists prioritize green chemistry and efficient synthesis, this compound’s role will likely expand, addressing global challenges in health and sustainability.

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