57381-44-9 | 5-Bromo-2-chlorobenzonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$16.00	$11.00
10g	98%	in stock	$20.00	$14.00
25g	98%	in stock	$47.00	$33.00
500g	98%	in stock	$867.00	$607.00

Description

• Catalog Number: AB68885
• Chemical Name: 5-Bromo-2-chlorobenzonitrile
• CAS Number: 57381-44-9
• Molecular Formula: C7H3BrClN
• Molecular Weight: 216.4624
• MDL Number: MFCD00672948
• SMILES: N#Cc1cc(Br)ccc1Cl

Computed Properties

• Complexity: 162
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 1
• XLogP3: 2.7

Upstream Synthesis Route

5-Bromo-2-chlorobenzonitrile, also known as 2-Chloro-5-bromobenzonitrile, is a versatile chemical compound commonly used in various chemical synthesis processes. This compound serves as a valuable building block in the synthesis of pharmaceuticals, agrochemicals, and advanced materials.1. Cross-Coupling Reactions: 5-Bromo-2-chlorobenzonitrile is frequently employed in palladium-catalyzed cross-coupling reactions to form diverse molecular structures. This compound serves as a key component in the synthesis of biologically active compounds and intermediate products for pharmaceutical development.2. Halogen Exchange Reactions: Its unique halogen properties make 5-Bromo-2-chlorobenzonitrile a crucial reagent in halogen exchange reactions. By utilizing this compound, chemists can introduce specific halogen substituents into target molecules, enabling the modification of desired characteristics and functionalities.3. Nitrile Group Modification: The nitrile group in 5-Bromo-2-chlorobenzonitrile offers an important handle for further functionalization. Through selective reactions, this compound can be transformed into derivatives with altered chemical properties, paving the way for tailored applications in materials science and medicinal chemistry.4. Aromatic Ring Substitution: The presence of both bromine and chlorine atoms on the benzene ring of 5-Bromo-2-chlorobenzonitrile allows for sequential substitution reactions, leading to the synthesis of complex organic molecules with specific substitution patterns. This reactivity is crucial in the development of specialty chemicals and agrochemicals.5. Ligand Synthesis: In organometallic chemistry, 5-Bromo-2-chlorobenzonitrile serves as a valuable precursor for ligand synthesis. By derivatizing this compound, chemists can design custom ligands with unique steric and electronic properties, enabling the creation of catalysts for a wide range of chemical transformations.