113081-50-8 | 2-(4-Bromo-3-methoxyphenyl)acetonitrile

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$23.00	$17.00
1g	97%	in stock	$51.00	$36.00
5g	97%	in stock	$249.00	$174.00
10g	97%	in stock	$440.00	$308.00
25g	97%	in stock	$867.00	$607.00
100g	97%	in stock	$2,872.00	$2,010.00

Description

• Catalog Number: AE48049
• Chemical Name: 2-(4-Bromo-3-methoxyphenyl)acetonitrile
• CAS Number: 113081-50-8
• Molecular Formula: C9H8BrNO
• Molecular Weight: 226.0699
• MDL Number: MFCD06797367
• SMILES: N#CCc1ccc(c(c1)OC)Br

Computed Properties

• Complexity: 186
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 1.9

Upstream Synthesis Route

2-(4-Bromo-3-methoxyphenyl)acetonitrile, also known as $name$, is a versatile compound widely utilized in chemical synthesis. This compound serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals due to its unique structural properties. In chemical synthesis, 2-(4-Bromo-3-methoxyphenyl)acetonitrile is often employed as a valuable intermediate in the production of biologically active molecules. Its functional groups and reactivity make it a crucial component in the construction of complex organic compounds. This compound participates in a range of important reactions such as nucleophilic substitution, addition reactions, and cyclization processes.Furthermore, the presence of the bromine and methoxy substituents in the phenyl ring of 2-(4-Bromo-3-methoxyphenyl)acetonitrile imparts specific characteristics to the molecules it is incorporated into, thereby influencing their pharmacological or chemical properties. This compound’s structural features make it a popular choice for medicinal chemistry research and the development of new drug candidates.In summary, 2-(4-Bromo-3-methoxyphenyl)acetonitrile plays a critical role in chemical synthesis by enabling the efficient and strategic assembly of diverse molecules with therapeutic, agricultural, or industrial applications.