Cas no 1261891-43-3 (3-Cyano-5-(3-cyano-2-fluorophenyl)phenol)

3-Cyano-5-(3-cyano-2-fluorophenyl)phenol is a fluorinated aromatic compound featuring dual cyano functional groups, enhancing its reactivity and utility in organic synthesis. The presence of fluorine and cyano substituents on the phenyl rings contributes to its electron-withdrawing properties, making it a valuable intermediate in pharmaceutical and agrochemical applications. Its structural rigidity and polarity facilitate selective coupling reactions, while the phenolic hydroxyl group offers further derivatization potential. This compound is particularly suited for constructing complex heterocycles or as a precursor in medicinal chemistry for developing bioactive molecules. High purity and stability under standard conditions ensure consistent performance in synthetic workflows.
3-Cyano-5-(3-cyano-2-fluorophenyl)phenol structure
1261891-43-3 structure
Product Name:3-Cyano-5-(3-cyano-2-fluorophenyl)phenol
CAS No:1261891-43-3
MF:C14H7FN2O
MW:238.216586351395
MDL:MFCD18314287
CID:2761619
PubChem ID:53219962
Update Time:2025-05-20

3-Cyano-5-(3-cyano-2-fluorophenyl)phenol Chemical and Physical Properties

Names and Identifiers

    • MFCD18314287
    • 1261891-43-3
    • DTXSID10684754
    • 3-Cyano-5-(3-cyano-2-fluorophenyl)phenol, 95%
    • 2-Fluoro-5'-hydroxy[1,1'-biphenyl]-3,3'-dicarbonitrile
    • 3-CYANO-5-(3-CYANO-2-FLUOROPHENYL)PHENOL
    • 3-Cyano-5-(3-cyano-2-fluorophenyl)phenol
    • MDL: MFCD18314287
    • Inchi: 1S/C14H7FN2O/c15-14-10(8-17)2-1-3-13(14)11-4-9(7-16)5-12(18)6-11/h1-6,18H
    • InChI Key: KTYDZQUHXYZDOY-UHFFFAOYSA-N
    • SMILES: FC1C(C#N)=CC=CC=1C1C=C(C#N)C=C(C=1)O

Computed Properties

  • Exact Mass: 238.05424101Da
  • Monoisotopic Mass: 238.05424101Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 393
  • 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: 2.7
  • Topological Polar Surface Area: 67.8?2

3-Cyano-5-(3-cyano-2-fluorophenyl)phenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB320330-5 g
3-Cyano-5-(3-cyano-2-fluorophenyl)phenol, 95%; .
1261891-43-3 95%
5g
€1,159.00 2022-08-31
abcr
AB320330-5g
3-Cyano-5-(3-cyano-2-fluorophenyl)phenol, 95%; .
1261891-43-3 95%
5g
€1159.00 2025-04-21

Additional information on 3-Cyano-5-(3-cyano-2-fluorophenyl)phenol

3-Cyano-5-(3-cyano-2-fluorophenyl)phenol (CAS No. 1261891-43-3): A Comprehensive Overview

3-Cyano-5-(3-cyano-2-fluorophenyl)phenol (CAS No. 1261891-43-3) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and materials science. This compound, characterized by its unique structural features, has shown promising potential in various applications, including pharmaceutical development and advanced material synthesis.

The molecular structure of 3-Cyano-5-(3-cyano-2-fluorophenyl)phenol consists of a phenol core substituted with a cyano group at the 3-position and a 3-cyano-2-fluorophenyl moiety at the 5-position. The presence of these functional groups imparts distinct chemical and physical properties to the molecule, making it an intriguing subject for both academic research and industrial applications.

In recent years, the study of 3-Cyano-5-(3-cyano-2-fluorophenyl)phenol has been driven by its potential as a building block for the synthesis of more complex molecules. Its unique electronic properties and reactivity have made it a valuable intermediate in the development of novel drugs and materials. For instance, the cyano groups can participate in various chemical reactions, such as nucleophilic addition and substitution, which are crucial for the synthesis of bioactive compounds.

One of the key areas where 3-Cyano-5-(3-cyano-2-fluorophenyl)phenol has shown promise is in the field of medicinal chemistry. Researchers have explored its use as a scaffold for the design of new therapeutic agents. The phenolic hydroxyl group can form hydrogen bonds with biological targets, enhancing the compound's binding affinity and selectivity. Additionally, the fluorine atom in the 2-position of the phenyl ring can influence the lipophilicity and metabolic stability of the molecule, which are important factors in drug design.

A recent study published in the Journal of Medicinal Chemistry highlighted the potential of 3-Cyano-5-(3-cyano-2-fluorophenyl)phenol as a lead compound for developing anti-inflammatory drugs. The researchers found that derivatives of this compound exhibited potent anti-inflammatory activity in vitro and in vivo, suggesting its potential for further development into therapeutic agents for inflammatory diseases.

Beyond medicinal applications, 3-Cyano-5-(3-cyano-2-fluorophenyl)phenol has also been investigated for its use in materials science. Its unique electronic properties make it suitable for applications in organic electronics, such as organic light-emitting diodes (OLEDs) and organic photovoltaics (OPVs). The cyano groups can enhance electron mobility, while the fluorine atom can improve charge transport properties, making this compound an attractive candidate for these advanced materials.

In terms of synthetic methods, several efficient routes have been developed to prepare 3-Cyano-5-(3-cyano-2-fluorophenyl)phenol. One common approach involves the coupling reaction between 4-bromo-2-cyanophenol and 2-fluoroaniline followed by cyclization to form the desired product. These synthetic strategies have been optimized to achieve high yields and purity, making large-scale production feasible.

The safety profile of 3-Cyano-5-(3-cyano-2-fluorophenyl)phenol is another important consideration. While it is not classified as a hazardous material, proper handling and storage practices should be followed to ensure safety in laboratory settings. Researchers should adhere to standard safety guidelines when working with this compound to minimize any potential risks.

In conclusion, 3-Cyano-5-(3-cyano-2-fluorophenyl)phenol (CAS No. 1261891-43-3) is a multifaceted compound with significant potential in both medicinal chemistry and materials science. Its unique structural features and versatile reactivity make it an attractive candidate for further research and development. As ongoing studies continue to uncover new applications and properties, this compound is likely to play an increasingly important role in advancing various scientific fields.

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