Cas no 61596-38-1 (Benzenemethanol, 2,3,5,6-tetrafluoro-4-hydroxy-)

Benzenemethanol, 2,3,5,6-tetrafluoro-4-hydroxy-, is a fluorinated aromatic compound characterized by the presence of hydroxyl and benzenemethanol functional groups, along with four fluorine substituents. This structural configuration imparts unique physicochemical properties, including enhanced electron-withdrawing effects and increased stability under harsh conditions. The compound is of interest in pharmaceutical and agrochemical synthesis due to its potential as a versatile intermediate for introducing fluorinated motifs into target molecules. Its high polarity and reactivity make it suitable for selective derivatization reactions. The presence of both hydroxyl and fluorinated groups allows for further functionalization, enabling applications in fine chemical and material science research.
Benzenemethanol, 2,3,5,6-tetrafluoro-4-hydroxy- structure
61596-38-1 structure
Product Name:Benzenemethanol, 2,3,5,6-tetrafluoro-4-hydroxy-
CAS No:61596-38-1
MF:C7H4F4O2
MW:196.099076271057
CID:473470
PubChem ID:13865798
Update Time:2025-05-30

Benzenemethanol, 2,3,5,6-tetrafluoro-4-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol, 2,3,5,6-tetrafluoro-4-hydroxy-
    • 2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenol
    • DTXSID80551520
    • SCHEMBL21322546
    • CS-0380259
    • 61596-38-1
    • Inchi: 1S/C7H4F4O2/c8-3-2(1-12)4(9)6(11)7(13)5(3)10/h12-13H,1H2
    • InChI Key: OERWOOHCPAZTKC-UHFFFAOYSA-N
    • SMILES: FC1C(=C(C(=C(C=1CO)F)F)O)F

Computed Properties

  • Exact Mass: 196.01472
  • Monoisotopic Mass: 196.01474201g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 164
  • 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: 1.1
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • PSA: 40.46

Benzenemethanol, 2,3,5,6-tetrafluoro-4-hydroxy- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1450929-1g
2,3,5,6-Tetrafluoro-4-(hydroxymethyl)phenol
61596-38-1 98%
1g
¥7183.00 2024-05-06

Additional information on Benzenemethanol, 2,3,5,6-tetrafluoro-4-hydroxy-

Benzenemethanol, 2,3,5,6-Tetrafluoro-4-Hydroxy - A Comprehensive Overview

The compound Benzenemethanol, 2,3,5,6-Tetrafluoro-4-Hydroxy (CAS No. 61596-38-1) is a highly specialized organic chemical with a unique structure and diverse applications. This compound belongs to the class of aromatic alcohols and is characterized by its fluorinated benzene ring and hydroxymethyl group. Recent advancements in synthetic chemistry have enabled the precise synthesis and characterization of this compound, making it a subject of interest in both academic and industrial research.

The molecular structure of Benzenemethanol, 2,3,5,6-Tetrafluoro-4-Hydroxy consists of a benzene ring substituted with four fluorine atoms at positions 2, 3, 5, and 6. The hydroxymethyl group (-CH?OH) is attached at position 4 of the benzene ring. This substitution pattern imparts unique electronic and steric properties to the molecule. The presence of multiple fluorine atoms significantly influences the compound's reactivity and stability. Fluorine substitution typically enhances the molecule's lipophilicity and can modulate its interactions with biological systems.

Recent studies have explored the synthesis of Benzenemethanol derivatives, including this specific compound. One notable approach involves the directed fluorination of aromatic alcohols using selective electrophilic fluorination techniques. These methods allow for precise control over the substitution pattern on the benzene ring. For instance, researchers have utilized copper-catalyzed coupling reactions to introduce fluorine atoms at specific positions on the aromatic ring while preserving the hydroxymethyl group.

The physical properties of CAS No. 61596-38-1 are critical for its applications in various fields. The compound exhibits a high melting point due to its rigid aromatic structure and strong hydrogen bonding capabilities from the hydroxymethyl group. Its solubility in polar solvents such as water and ethanol makes it suitable for use in aqueous environments. Additionally, the compound's fluorescence properties have been studied under UV light excitation, revealing potential applications in sensing and imaging technologies.

In terms of applications, Benzenemethanol derivatives like CAS No. 61596-38-1 find utility in pharmaceuticals as intermediates for drug development. The hydroxymethyl group can serve as a reactive site for further functionalization into bioactive molecules targeting specific therapeutic areas such as oncology or infectious diseases. Furthermore, this compound has been investigated for its potential as a precursor in materials science for synthesizing advanced polymers or optoelectronic materials.

The environmental impact and safety profile of CAS No. 61596-38-1 are also areas of active research. Studies have been conducted to assess its biodegradation rates under various conditions and its potential toxicity to aquatic organisms. Results indicate that while the compound exhibits moderate biodegradability under aerobic conditions, further research is needed to fully understand its long-term environmental effects.

In conclusion, Benzenemethanol, 2,3,5,6-Tetrafluoro-4-Hydroxy (CAS No. 61596-38-1) stands out as a versatile organic compound with promising applications across multiple disciplines. Its unique structure enables diverse chemical transformations and functionalizations that align with contemporary research trends in drug discovery and materials science. As ongoing studies continue to unravel its full potential and optimize its synthesis pathways,CAS No. 61596-38-1 is poised to play an increasingly significant role in advancing modern chemistry.

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