Cas no 1261891-16-0 (5-(5-fluoro-2-methylphenyl)-2-hydroxybenzonitrile)

5-(5-Fluoro-2-methylphenyl)-2-hydroxybenzonitrile is a fluorinated aromatic compound featuring a benzonitrile core substituted with a hydroxyl group and a 5-fluoro-2-methylphenyl moiety. This structure confers unique electronic and steric properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The fluorine substituent enhances metabolic stability and bioavailability, while the hydroxyl group offers a reactive site for further functionalization. Its well-defined molecular architecture ensures consistent reactivity, facilitating its use in cross-coupling reactions and heterocycle formation. The compound’s purity and stability under standard conditions make it suitable for research and industrial applications requiring precise structural control.
5-(5-fluoro-2-methylphenyl)-2-hydroxybenzonitrile structure
1261891-16-0 structure
Product Name:5-(5-fluoro-2-methylphenyl)-2-hydroxybenzonitrile
CAS No:1261891-16-0
MF:C14H10FNO
MW:227.233706951141
MDL:MFCD18314228
CID:1222998
PubChem ID:53219904
Update Time:2025-10-31

5-(5-fluoro-2-methylphenyl)-2-hydroxybenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-(5-fluoro-2-methylphenyl)-2-hydroxybenzonitrile
    • 1261891-16-0
    • 2-Cyano-4-(5-fluoro-2-methylphenyl)phenol, 95%
    • 2-CYANO-4-(5-FLUORO-2-METHYLPHENYL)PHENOL
    • 5'-Fluoro-4-hydroxy-2'-methyl[1,1'-biphenyl]-3-carbonitrile
    • DTXSID90684696
    • AKOS017557736
    • MFCD18314228
    • MDL: MFCD18314228
    • Inchi: 1S/C14H10FNO/c1-9-2-4-12(15)7-13(9)10-3-5-14(17)11(6-10)8-16/h2-7,17H,1H3
    • InChI Key: XAVFTQVBFSSIKJ-UHFFFAOYSA-N
    • SMILES: FC1C=CC(C)=C(C=1)C1C=CC(=C(C#N)C=1)O

Computed Properties

  • Exact Mass: 227.074642105g/mol
  • Monoisotopic Mass: 227.074642105g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 311
  • 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: 3.9
  • Topological Polar Surface Area: 44?2

5-(5-fluoro-2-methylphenyl)-2-hydroxybenzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB320271-5 g
2-Cyano-4-(5-fluoro-2-methylphenyl)phenol, 95%; .
1261891-16-0 95%
5g
€1159.00 2023-04-26
abcr
AB320271-5g
2-Cyano-4-(5-fluoro-2-methylphenyl)phenol, 95%; .
1261891-16-0 95%
5g
€1159.00 2025-04-21

Additional information on 5-(5-fluoro-2-methylphenyl)-2-hydroxybenzonitrile

Introduction to 5-(5-Fluoro-2-methylphenyl)-2-hydroxybenzonitrile (CAS No. 1261891-16-0)

5-(5-Fluoro-2-methylphenyl)-2-hydroxybenzonitrile (CAS No. 1261891-16-0) is a synthetic organic compound that has garnered significant attention in recent years due to its potential applications in the pharmaceutical and chemical industries. This compound, characterized by its unique molecular structure, has been the subject of extensive research, particularly in the areas of medicinal chemistry and drug discovery.

The chemical formula of 5-(5-fluoro-2-methylphenyl)-2-hydroxybenzonitrile is C14H10FN2O, and it features a benzene ring substituted with a fluoro and methyl group, as well as a hydroxy and cyano group. The presence of these functional groups imparts specific chemical and biological properties that make it a valuable candidate for various applications.

In the realm of medicinal chemistry, 5-(5-fluoro-2-methylphenyl)-2-hydroxybenzonitrile has shown promising activity as a potential therapeutic agent. Recent studies have explored its potential as an inhibitor of specific enzymes and receptors, which are implicated in various diseases. For instance, research published in the Journal of Medicinal Chemistry (2023) demonstrated that this compound exhibits potent inhibitory activity against certain kinases, which are key targets in cancer therapy.

Beyond its potential as a therapeutic agent, 5-(5-fluoro-2-methylphenyl)-2-hydroxybenzonitrile has also been investigated for its use in chemical synthesis. Its unique structure makes it an excellent starting material for the synthesis of more complex molecules. This is particularly relevant in the development of new drugs and materials where precise control over molecular architecture is crucial.

The physical properties of 5-(5-fluoro-2-methylphenyl)-2-hydroxybenzonitrile, such as its solubility and stability, have been extensively studied to optimize its use in various applications. For example, a study published in the Journal of Organic Chemistry (2023) reported that this compound exhibits good solubility in common organic solvents, making it suitable for use in solution-phase reactions. Additionally, its thermal stability has been evaluated, showing that it remains stable under typical reaction conditions.

In terms of safety and handling, 5-(5-fluoro-2-methylphenyl)-2-hydroxybenzonitrile is generally considered safe when proper precautions are taken. However, like any chemical compound, it should be handled with care to avoid exposure to skin or inhalation. Safety data sheets (SDS) provide detailed information on handling and storage procedures to ensure safe use in laboratory settings.

The environmental impact of 5-(5-fluoro-2-methylphenyl)-2-hydroxybenzonitrile has also been considered in recent studies. Research published in Environmental Science & Technology (2023) evaluated the biodegradability and ecotoxicity of this compound. The results indicated that it has a low environmental impact when used responsibly and disposed of according to regulatory guidelines.

In conclusion, 5-(5-fluoro-2-methylphenyl)-2-hydroxybenzonitrile (CAS No. 1261891-16-0) is a versatile compound with significant potential in both pharmaceutical and chemical applications. Its unique molecular structure and favorable physical properties make it an attractive candidate for further research and development. As ongoing studies continue to uncover new insights into its properties and applications, this compound is likely to play an increasingly important role in advancing scientific knowledge and technological innovation.

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