Benzaldehyde, 5-ethynyl-2-hydroxy-


Chemical Name: Benzaldehyde, 5-ethynyl-2-hydroxy-
CAS Number: 252771-08-7
Product Number: AG00349I(AGN-PC-07AC4G)
Synonyms:
MDL No:
Molecular Formula: C9H6O2
Molecular Weight: 146.1427

Identification/Properties


Properties
MP:
115-118 °C
BP:
245.6±30.0 °C(Predicted)
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
146.145g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
146.037g/mol
Monoisotopic Mass:
146.037g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
189
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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NMR Spectrum


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Chemical Structure



5-Ethynyl-2-hydroxybenzaldehyde, known for its unique chemical structure, serves a crucial role in chemical synthesis as a versatile building block. This compound is widely utilized in the creation of various compounds through synthetic pathways due to its reactivity and functional groups.In chemical synthesis, 5-Ethynyl-2-hydroxybenzaldehyde can undergo a range of reactions, including nucleophilic addition, condensation, and substitution reactions. Its aldehyde group can participate in numerous transformations such as the formation of carbon-carbon bonds and the introduction of additional functional groups. Furthermore, the hydroxyl group provides an additional site for potential modifications and derivatization.This compound is particularly valuable in the development of pharmaceuticals, agrochemicals, and advanced materials. Its incorporation into molecular structures can enhance the biological activity, stability, and properties of the final products. By serving as a key intermediate in various synthetic routes, 5-Ethynyl-2-hydroxybenzaldehyde enables the efficient preparation of complex molecules with tailored functionalities and characteristics.