64248-63-1 | 3,5-Difluorobenzonitrile

Packsize	Purity	Availability	Price	Discounted Price
5g	97%	in stock	$15.00	$10.00
25g	97%	in stock	$22.00	$15.00
100g	97%	in stock	$72.00	$50.00

Description

• Catalog Number: AB44352
• Chemical Name: 3,5-Difluorobenzonitrile
• CAS Number: 64248-63-1
• Molecular Formula: C7H3F2N
• Molecular Weight: 139.1022
• MDL Number: MFCD00010311
• SMILES: N#Cc1cc(F)cc(c1)F

Computed Properties

• Complexity: 150
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 3
• XLogP3: 1.8

Upstream Synthesis Route

3,5-Difluorobenzonitrile is a versatile chemical compound commonly used in organic synthesis. Its primary application lies in its role as a building block in the creation of various pharmaceuticals, agrochemicals, and advanced materials. The presence of fluorine atoms at the 3rd and 5th positions of the benzene ring confers unique reactivity and properties to this compound, making it valuable in the development of diverse chemical structures. In organic synthesis, 3,5-Difluorobenzonitrile serves as a key intermediate for the preparation of fluorinated aromatic compounds, which are important in medicinal chemistry and material science. Its ability to undergo various functional group transformations enables the efficient construction of complex molecular structures with desired fluorine substitution patterns. Additionally, the presence of the cyano group in 3,5-Difluorobenzonitrile allows for further derivatization, opening up possibilities for the synthesis of a wide range of functionalized molecules with tailored properties. This compound plays a crucial role in the synthesis of bioactive molecules and functional materials, showcasing its significance in the field of chemical research and development.

Literature

• 3,5-Difluorobenzonitrile: ab initio calculations, FTIR and Raman spectra.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20020701