3,4-Difluoro-5-hydroxybenzaldehyde


Chemical Name: 3,4-Difluoro-5-hydroxybenzaldehyde
CAS Number: 887584-91-0
Product Number: AG008BLE(AGN-PC-0WAZAG)
Synonyms:
MDL No: MFCD04972451
Molecular Formula: C7H4F2O2
Molecular Weight: 158.1023

Identification/Properties


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



3,4-Difluoro-5-hydroxybenzaldehyde is a versatile compound widely used in chemical synthesis as a key building block for various pharmaceuticals, agrochemicals, and materials. It serves as a crucial intermediate in the production of important organic compounds due to its unique chemical properties. The compound's distinctive 3,4-difluoro substitution pattern enhances its reactivity and enables it to participate in a range of reactions, such as nucleophilic addition, condensation, and oxidation. This allows for the facile synthesis of diverse molecules with specific functionalities and structures. In pharmaceutical synthesis, 3,4-Difluoro-5-hydroxybenzaldehyde is utilized in creating drug candidates with improved biological activities and pharmacokinetic profiles. Its presence in the molecular framework can enhance drug-binding interactions and metabolic stability, leading to potentially more effective treatments. Moreover, in agrochemical applications, this compound plays a crucial role in the development of novel pesticides and herbicides with enhanced target specificity and environmental safety. By incorporating 3,4-Difluoro-5-hydroxybenzaldehyde into the molecular structure of agricultural chemicals, researchers can design products that exhibit improved efficacy against pests while minimizing unwanted effects on non-target organisms. Overall, the versatility of 3,4-Difluoro-5-hydroxybenzaldehyde in chemical synthesis makes it a valuable tool for creating innovative compounds across various industries, driving advancements in pharmaceuticals, agrochemicals, and materials science.