Cas no 147300-08-1 (4,5-Difluorobenzene-1,2-diol)

4,5-Difluorobenzene-1,2-diol is a fluorinated catechol derivative with applications in organic synthesis and pharmaceutical intermediates. Its key advantages include enhanced reactivity due to the electron-withdrawing effects of the fluorine substituents, which facilitate selective functionalization in complex molecular frameworks. The compound's structural rigidity and polarity make it a valuable building block for designing bioactive molecules, particularly in medicinal chemistry. Additionally, the fluorine atoms improve metabolic stability and lipophilicity, contributing to optimized pharmacokinetic properties in drug development. High purity and consistent quality ensure reliable performance in research and industrial applications. Proper handling is advised due to potential reactivity under certain conditions.
4,5-Difluorobenzene-1,2-diol structure
4,5-Difluorobenzene-1,2-diol structure
Product Name:4,5-Difluorobenzene-1,2-diol
CAS No:147300-08-1
MF:C6H4F2O2
MW:146.091568946838
MDL:MFCD08458183
CID:173192
PubChem ID:177847
Update Time:2025-05-25

4,5-Difluorobenzene-1,2-diol Chemical and Physical Properties

Names and Identifiers

    • 4,5-Difluorobenzene-1,2-diol
    • 1,2-Benzenediol,4,5-difluoro-
    • 1,2-DIFLUORO-4,5-DIHYDROXYBENZENE
    • Benzene-1,2-diol, 4,5-difluoro-
    • 1,2-Benzenediol,4,5-difluoro-(9CI)
    • 4,5-Difluorocatechol, 1,2-Difluoro-4,5-dihydroxybenzene
    • 4,5-Difluorocatechol
    • 1,2-Benzenediol, 4,5-difluoro-
    • PubChem23756
    • SBB086459
    • EBD128921
    • 7321AA
    • 4,5-bis(fluoranyl)benzene-1,2-diol
    • AK110161
    • A808633
    • C6H4F2O2
    • AKOS016008739
    • DS-4527
    • CS-0157824
    • DTXSID40163663
    • I11312
    • MFCD08458183
    • 4 pound not5-Difluorobenzene-1 pound not2-diol
    • SCHEMBL19667454
    • 147300-08-1
    • MDL: MFCD08458183
    • Inchi: 1S/C6H4F2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H
    • InChI Key: WSCBUHJBHHOPRI-UHFFFAOYSA-N
    • SMILES: FC1C(=CC(=C(C=1)O)O)F

Computed Properties

  • Exact Mass: 146.017936
  • Monoisotopic Mass: 146.017936
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 106
  • 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: 1.4
  • Topological Polar Surface Area: 40.5

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.5±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 288.1°C at 760 mmHg
  • Flash Point: 128.1±25.9 °C
  • Refractive Index: 1.546
  • Vapor Pressure: No data available

4,5-Difluorobenzene-1,2-diol Security Information

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4,5-Difluorobenzene-1,2-diol Related Literature

Additional information on 4,5-Difluorobenzene-1,2-diol

Comprehensive Overview of 4,5-Difluorobenzene-1,2-diol (CAS No. 147300-08-1): Properties, Applications, and Research Insights

4,5-Difluorobenzene-1,2-diol (CAS No. 147300-08-1) is a fluorinated aromatic diol compound that has garnered significant attention in modern chemical research due to its unique structural properties and versatile applications. This fluorinated benzene derivative is characterized by the presence of two hydroxyl groups and two fluorine atoms on the benzene ring, which impart distinct electronic and steric effects. Researchers and industries are increasingly exploring its potential in pharmaceutical intermediates, material science, and organic synthesis, making it a subject of interest in academic and industrial circles.

The molecular structure of 4,5-Difluorobenzene-1,2-diol (CAS No. 147300-08-1) features a benzene core with fluorine atoms at the 4 and 5 positions and hydroxyl groups at the 1 and 2 positions. This arrangement enhances its reactivity in electrophilic substitution reactions and makes it a valuable building block for high-performance polymers and specialty chemicals. The compound's fluorine substitution pattern is particularly noteworthy, as it influences both its physical properties (e.g., solubility, melting point) and chemical behavior (e.g., hydrogen bonding capacity).

In the context of green chemistry and sustainable synthesis, 4,5-Difluorobenzene-1,2-diol (CAS No. 147300-08-1) has emerged as a candidate for eco-friendly catalytic processes. Recent studies highlight its role in metal-free catalysis and biodegradable material design, aligning with global trends toward reducing environmental impact. For instance, its derivatives are being investigated for use in bio-based coatings and renewable energy storage systems, addressing pressing questions about carbon footprint reduction in chemical manufacturing.

From a pharmaceutical perspective, this compound serves as a precursor for drug discovery targeting central nervous system (CNS) disorders and anti-inflammatory agents. The fluorine atoms in its structure are known to improve metabolic stability and bioavailability, which are critical factors in medicinal chemistry optimization. Researchers are also examining its potential in PET imaging probes, leveraging the radioactive isotope fluorine-18 for diagnostic applications.

Analytical techniques such as NMR spectroscopy, HPLC, and mass spectrometry are routinely employed to characterize 4,5-Difluorobenzene-1,2-diol (CAS No. 147300-08-1). These methods confirm its purity and structural integrity, which are essential for quality control in industrial settings. Additionally, computational modeling studies have provided insights into its molecular interactions and thermodynamic stability, further expanding its utility in rational drug design and materials engineering.

The compound's relevance to emerging technologies is another area of growing interest. For example, its derivatives are being explored in organic electronics, particularly for flexible displays and OLED materials, where fluorinated aromatics contribute to enhanced electron transport properties. This aligns with frequent search queries about "next-generation electronic materials" and "fluorine in advanced manufacturing."

In summary, 4,5-Difluorobenzene-1,2-diol (CAS No. 147300-08-1) represents a multifaceted compound with applications spanning life sciences, advanced materials, and environmental innovation. Its combination of fluorine chemistry and diol functionality offers a robust platform for addressing contemporary challenges in healthcare, energy, and sustainability. Ongoing research continues to uncover new possibilities, solidifying its position as a key player in modern synthetic chemistry.

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