3-Cyano-2-hydroxybenzaldehyde


Chemical Name: 3-Cyano-2-hydroxybenzaldehyde
CAS Number: 858478-91-8
Product Number: AG00G5MW(AGN-PC-0WAJ18)
Synonyms:
MDL No:
Molecular Formula: C8H5NO2
Molecular Weight: 147.1308

Identification/Properties


Computed Properties
Molecular Weight:
147.133g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
147.032g/mol
Monoisotopic Mass:
147.032g/mol
Topological Polar Surface Area:
61.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
194
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

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Chemical Structure



3-formyl-2-hydroxybenzonitrile, also known as salicylaldehyde cyanide, is a versatile compound widely utilized in chemical synthesis due to its unique reactivity and structural properties. This compound is commonly employed as a key building block in the preparation of various pharmaceuticals, agrochemicals, and fine chemicals. In chemical synthesis, 3-formyl-2-hydroxybenzonitrile serves as a crucial intermediate in the synthesis of heterocyclic compounds such as benzoxazoles, benzimidazoles, and benzothiazoles. By reacting with various nucleophiles or electrophiles, this compound can undergo diverse transformations, leading to the formation of complex molecular structures with diverse functionalities. Additionally, the aldehyde and nitrile functional groups present in 3-formyl-2-hydroxybenzonitrile offer ample opportunities for further derivatization through various chemical reactions such as nucleophilic addition, condensation, and oxidation. This flexibility in chemical reactivity makes this compound an invaluable tool for organic chemists in designing and synthesizing novel compounds with potential biological or industrial applications. In summary, the application of 3-formyl-2-hydroxybenzonitrile in chemical synthesis extends beyond being a mere reagent; it plays a pivotal role in the construction of intricate molecular frameworks, enabling the development of new chemical entities with diverse functionalities and applications.