CAS 83101-15-9

3-(3-Bromopropyl)benzonitrile

Description:

3-(3-Bromopropyl)benzonitrile, with the CAS number 83101-15-9, is an organic compound characterized by a benzene ring substituted with a cyano group and a 3-bromopropyl side chain. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. It is known for its moderate solubility in organic solvents, such as ethanol and acetone, while being less soluble in water due to the hydrophobic nature of the aromatic ring and the alkyl chain. The presence of the bromine atom introduces notable reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and coupling reactions. Additionally, the cyano group contributes to the compound's polarity and can participate in further chemical transformations. Safety precautions should be observed when handling this compound, as it may pose health risks, including irritation to the skin and eyes. Overall, 3-(3-Bromopropyl)benzonitrile serves as a useful intermediate in organic synthesis and pharmaceutical applications.

Formula: C₁₀H₁₀BrN

InChI: InChI=1S/C10H10BrN/c11-6-2-5-9-3-1-4-10(7-9)8-12/h1,3-4,7H,2,5-6H2

InChI key: InChIKey=SHCYJKVSXCAQAN-UHFFFAOYSA-N

SMILES: C(CCBr)C1=CC(C#N)=CC=C1

Synonyms:

• Benzonitrile, 3-(3-bromopropyl)-
• 1-(3-Bromopropyl)-3-cyanobenzene
• 3-(3-Bromopropyl)benzonitrile
• 3-(3-Bromopropyl)cyanobenzene