117482-84-5 | 3-chloro-4-fluorobenzonitrile

Packsize	Purity	Availability	Price	Discounted Price
10g	98%	in stock	$8.00	$6.00
100g	98%	in stock	$50.00	$35.00

Description

• Catalog Number: AA18392
• Chemical Name: 3-chloro-4-fluorobenzonitrile
• CAS Number: 117482-84-5
• Molecular Formula: C7H3ClFN
• Molecular Weight: 155.5568
• MDL Number: MFCD00015431
• SMILES: N#Cc1ccc(c(c1)Cl)F

Computed Properties

• Complexity: 162
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 2
• XLogP3: 2.5

Upstream Synthesis Route

3-Chloro-4-fluorobenzonitrile is a versatile chemical compound that finds a wide range of applications in chemical synthesis. This compound is commonly used as a building block in the production of various pharmaceuticals, agrochemicals, and fine chemicals. Its unique combination of chlorine and fluorine atoms makes it a valuable intermediate in the synthesis of complex organic molecules.In chemical synthesis, 3-Chloro-4-fluorobenzonitrile serves as a key starting material for the construction of heterocyclic compounds, which are essential components in the development of many biologically active molecules. Its reactivity allows for the introduction of functional groups at specific positions, enabling chemists to tailor the properties of the final product.Furthermore, the presence of both chlorine and fluorine in 3-Chloro-4-fluorobenzonitrile provides opportunities for cross-coupling reactions, which are crucial in forming carbon-carbon and carbon-heteroatom bonds. This versatility makes it a valuable tool for organic chemists looking to create complex molecular structures efficiently.Overall, 3-Chloro-4-fluorobenzonitrile plays a vital role in the field of chemical synthesis, offering unique reactivity and functional group compatibility that make it a valuable asset in the creation of new chemical compounds.

Literature

• Molecular structure and vibrational spectra of 3-chloro-4-fluoro benzonitrile by ab initio HF and density functional method.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081201