2,5-Difluoro-4-hydroxybenzaldehyde


Chemical Name: 2,5-Difluoro-4-hydroxybenzaldehyde
CAS Number: 918523-99-6
Product Number: AG0036SM(AGN-PC-03IF6M)
Synonyms:
MDL No:
Molecular Formula: C7H4F2O2
Molecular Weight: 158.1023

Identification/Properties


Properties
MP:
145-148°C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
158.104g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
158.018g/mol
Monoisotopic Mass:
158.018g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
151
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



2,5-Difluoro-4-hydroxybenzaldehyde is a key intermediate in organic synthesis, particularly in the field of medicinal chemistry and pharmaceuticals. This compound serves as a building block for the construction of various biologically active molecules and pharmaceutical agents. Its unique structure, featuring both hydroxy and difluoro functional groups, imparts specific chemical reactivity that enables diverse synthetic transformations.In chemical synthesis, 2,5-Difluoro-4-hydroxybenzaldehyde is commonly employed as a versatile starting material for the synthesis of heterocyclic compounds, such as benzimidazoles and benzothiazoles, which are prevalent in drug discovery research. The hydroxy group present in the molecule can participate in various chemical reactions, including nucleophilic substitution and condensation reactions. Additionally, the difluoro substituents can modulate the compound's physicochemical properties, enhancing its bioavailability and pharmacological profile.Furthermore, 2,5-Difluoro-4-hydroxybenzaldehyde can undergo transformations to introduce additional functional groups or modify its aromatic ring system, leading to the formation of structurally diverse compounds with potential biological activities. Its utility in chemical synthesis extends to the preparation of fluorescent probes, agrochemicals, and materials with specialized properties.Overall, the strategic incorporation of 2,5-Difluoro-4-hydroxybenzaldehyde into synthetic pathways enables the efficient construction of complex molecules with medicinal relevance, highlighting its significance in the pharmaceutical and chemical industries.