CAS 93213-75-3

2-(Bromomethyl)-3-nitrobenzonitrile

Description:

2-(Bromomethyl)-3-nitrobenzonitrile is an organic compound characterized by its aromatic structure, which includes a bromomethyl group and a nitro group attached to a benzonitrile framework. The presence of the bromomethyl group introduces a halogen, which can enhance reactivity and serve as a potential site for further chemical modifications. The nitro group, known for its electron-withdrawing properties, can influence the compound's reactivity and stability, making it useful in various synthetic applications. This compound typically appears as a solid at room temperature and is soluble in organic solvents. Its chemical properties may include moderate to high reactivity, particularly in nucleophilic substitution reactions due to the electrophilic nature of the bromine atom. Additionally, the nitrile functional group contributes to the compound's polarity and can participate in hydrogen bonding interactions. Safety precautions should be taken when handling this compound, as it may pose health risks due to the presence of bromine and nitro groups, which are known to be hazardous.

Formula: C₈H₅BrN₂O₂

InChI: InChI=1S/C8H5BrN2O2/c9-4-7-6(5-10)2-1-3-8(7)11(12)13/h1-3H,4H2

InChI key: InChIKey=RVNUJWCXNNNKQW-UHFFFAOYSA-N

SMILES: C(Br)C1=C(N(=O)=O)C=CC=C1C#N

Synonyms:

• Benzonitrile, 2-(bromomethyl)-3-nitro-
• 2-(Bromomethyl)-3-nitrobenzonitrile