CAS 101860-82-6

4-(1-Bromoethyl)benzonitrile

Description:

4-(1-Bromoethyl)benzonitrile is an organic compound characterized by its structure, which features a benzene ring substituted with a cyano group (nitrile) and a bromoethyl group. The presence of the cyano group imparts notable polarity and reactivity, making it useful in various chemical syntheses. The bromoethyl substituent introduces a halogen, which can participate in nucleophilic substitution reactions, enhancing the compound's utility in organic synthesis. This compound is typically a colorless to pale yellow liquid or solid, depending on its specific form and purity. It is important to handle it with care due to potential toxicity and reactivity associated with both the bromine and nitrile functional groups. Additionally, 4-(1-Bromoethyl)benzonitrile may exhibit moderate solubility in organic solvents, which is common for many aromatic compounds. Its applications may include use as an intermediate in the synthesis of pharmaceuticals, agrochemicals, or other fine chemicals, highlighting its significance in the field of organic chemistry.

Formula: C₉H₈BrN

InChI: InChI=1S/C9H8BrN/c1-7(10)9-4-2-8(6-11)3-5-9/h2-5,7H,1H3

InChI key: InChIKey=ABYAXYCLTMBACL-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 4-(1-bromoethyl)-
• Benzonitrile, p-(1-bromoethyl)-
• 4-(1-Bromoethyl)benzonitrile

4-(1-Bromoethyl)benzonitrile

CAS: 101860-82-6

Versatile small molecule scaffold

Formula: C₉H₈NBr

Purity: Min. 95%

Molecular weight: 210.07 g/mol

Ref: 3D-BEA86082