117738-76-8 | 4-Chloro-3-cyanobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$63.00	$45.00
5g	98%	in stock	$309.00	$217.00

Description

• Catalog Number: AB51381
• Chemical Name: 4-Chloro-3-cyanobenzoic acid
• CAS Number: 117738-76-8
• Molecular Formula: C8H4ClNO2
• Molecular Weight: 181.5759
• MDL Number: MFCD09999808
• SMILES: N#Cc1cc(ccc1Cl)C(=O)O

Computed Properties

• Complexity: 233
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.6

Upstream Synthesis Route

4-Chloro-3-cyanobenzoic acid is a versatile chemical compound widely used in chemical synthesis as a key building block for various organic reactions. This compound serves as a valuable intermediate in the production of pharmaceuticals, agrochemicals, and fine chemicals. Its unique structure enables it to participate in various nucleophilic and electrophilic substitution reactions, making it a crucial component in the synthesis of complex organic molecules.One of the primary applications of 4-Chloro-3-cyanobenzoic acid is in the synthesis of biologically active compounds, such as pharmaceutical drugs and insecticides. Its presence in the molecular structure of these compounds imparts specific chemical and biological properties, thereby influencing their effectiveness and target interactions. Additionally, this compound can undergo further transformations to introduce additional functional groups or modify its chemical properties, allowing for the creation of diverse chemical entities with desired characteristics.Furthermore, 4-Chloro-3-cyanobenzoic acid is often used as a starting material in the preparation of specialty polymers, dyes, and other fine chemicals. Its ability to serve as a synthetic precursor for a wide range of chemical transformations makes it a valuable tool in the hands of synthetic chemists and researchers seeking to develop new materials and compounds with tailored properties.Overall, the strategic placement of the chloro and cyano functional groups in 4-Chloro-3-cyanobenzoic acid provides a versatile platform for the construction of complex molecules through various synthetic routes, making it an indispensable building block in modern chemical synthesis.