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AB67312

105-07-7 | 4-Cyanobenzaldehyde

Packsize Purity Availability Price Discounted Price    Quantity
5g 98% in stock $5.00 $4.00 -   +
10g 98% in stock $7.00 $5.00 -   +
25g 98% in stock $9.00 $7.00 -   +
100g 98% in stock $25.00 $18.00 -   +
500g 98% in stock $122.00 $86.00 -   +

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Description
Catalog Number: AB67312
Chemical Name: 4-Cyanobenzaldehyde
CAS Number: 105-07-7
Molecular Formula: C8H5NO
Molecular Weight: 131.1314
MDL Number: MFCD00003376
SMILES: O=Cc1ccc(cc1)C#N
NSC Number: 5091

 

Computed Properties
Complexity: 159  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 2  
Rotatable Bond Count: 1  
XLogP3: 1.2  

 

 

Upstream Synthesis Route 
  • 4-Cyanobenzaldehyde, also known as para-cyanobenzaldehyde, is a versatile chemical compound commonly utilized in chemical synthesis for various applications.1. **As a Building Block:** 4-Cyanobenzaldehyde serves as a fundamental building block in the synthesis of numerous organic compounds due to its reactive cyano group (-CN) and aldehyde functional group (-CHO). It can undergo various chemical reactions to introduce new substituents or functional groups, enabling the creation of complex molecules.2. **Synthesis of Heterocycles:** This compound is frequently employed in the synthesis of heterocyclic compounds such as pyridines, pyrimidines, and indoles. By incorporating 4-cyanobenzaldehyde as a key precursor, chemists can access a wide range of biologically active and pharmaceutically relevant molecules.3. **Medicinal Chemistry:** In the field of medicinal chemistry, 4-cyanobenzaldehyde plays a crucial role in the development of novel drug candidates. Its versatile reactivity allows for the modification of chemical structures to enhance pharmacological properties such as potency, selectivity, and metabolic stability.4. **Agrochemicals Synthesis:** The application of 4-cyanobenzaldehyde extends to the synthesis of agrochemicals, including pesticides and herbicides. By utilizing this compound as a starting material, chemists can design and produce specialized chemical compounds for crop protection and pest management.Overall, 4-cyanobenzaldehyde's significance in chemical synthesis lies in its ability to act as a versatile building block for the construction of diverse organic molecules with applications across multiple industries. Its reactivity, combined with its structural properties, makes it a valuable tool for organic chemists seeking to create innovative chemical compounds.
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