CAS 127810-76-8

7-Bromo-2-naphthaleneacetonitrile

Description:

7-Bromo-2-naphthaleneacetonitrile, with the CAS number 127810-76-8, is an organic compound characterized by its naphthalene structure substituted with a bromine atom and a nitrile functional group. This compound typically appears as a solid and is known for its aromatic properties due to the naphthalene moiety, which contributes to its stability and potential reactivity. The presence of the bromine atom enhances its electrophilic character, making it useful in various chemical reactions, including nucleophilic substitutions. The nitrile group (-C≡N) is polar and can participate in hydrogen bonding, influencing the compound's solubility in polar solvents. 7-Bromo-2-naphthaleneacetonitrile is often utilized in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to serve as an intermediate in the synthesis of more complex molecules. Safety data should be consulted for handling, as halogenated compounds can pose health risks.

Formula: C₁₂H₈BrN

InChI: InChI=1S/C12H8BrN/c13-12-4-3-10-2-1-9(5-6-14)7-11(10)8-12/h1-4,7-8H,5H2

InChI key: InChIKey=DMQPFBPGVCRFPC-UHFFFAOYSA-N

SMILES: C(C#N)C1=CC2=C(C=C1)C=CC(Br)=C2

Synonyms:

• 7-Bromo-2-naphthaleneacetonitrile
• 2-Naphthaleneacetonitrile, 7-bromo-
• 2-(7-Bromonaphthalen-2-yl)acetonitrile