Phenol, 4-fluoro-2-(5-isoxazolyl)-


Chemical Name: Phenol, 4-fluoro-2-(5-isoxazolyl)-
CAS Number: 288401-62-7
Product Number: AG002WSN(AGN-PC-0O8M5D)
Synonyms:
MDL No:
Molecular Formula: C9H6FNO2
Molecular Weight: 179.1478

Identification/Properties


Computed Properties
Molecular Weight:
179.15g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
179.038g/mol
Monoisotopic Mass:
179.038g/mol
Topological Polar Surface Area:
46.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
179
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Fluoro-2-(isoxazol-5-yl)phenol is a versatile compound widely used in chemical synthesis as a key building block for the creation of various organic molecules. This compound serves as a valuable intermediate in the production of pharmaceuticals, agrochemicals, and specialty chemicals due to its unique reactivity and structural properties.In chemical synthesis, 4-Fluoro-2-(isoxazol-5-yl)phenol can participate in a range of reactions such as nucleophilic substitutions, aromatic substitutions, and coupling reactions. Its fluoro substituent enhances its reactivity and allows for selective transformations, making it an essential component in the design and synthesis of complex organic compounds. Moreover, the presence of the isoxazole ring confers specific chemical and biological properties to the resulting molecules, enabling the development of novel compounds with diverse applications.Overall, the application of 4-Fluoro-2-(isoxazol-5-yl)phenol in chemical synthesis offers a strategic approach for accessing structurally diverse and biologically active compounds, making it a valuable tool for organic chemists and researchers in the field of medicinal chemistry and drug discovery.