CAS 52516-45-7

2-Chloro-3-methoxybenzeneacetonitrile

Description:

2-Chloro-3-methoxybenzeneacetonitrile, with the CAS number 52516-45-7, is an organic compound characterized by its aromatic structure, which includes a chloro substituent and a methoxy group on a benzene ring. This compound features a nitrile functional group (-C≡N) attached to an acetic acid derivative, contributing to its reactivity and potential applications in organic synthesis. The presence of the chloro group enhances its electrophilic character, making it useful in various chemical reactions, including nucleophilic substitutions. The methoxy group can influence the compound's solubility and polarity, affecting its behavior in different solvents. Typically, compounds like this may exhibit moderate to low toxicity, but specific safety data should be consulted for handling and usage. Its applications may span across pharmaceuticals, agrochemicals, and materials science, where it can serve as an intermediate in the synthesis of more complex molecules. As with all chemical substances, proper safety protocols should be followed when working with 2-Chloro-3-methoxybenzeneacetonitrile.

Formula: C₉H₈ClNO

InChI: InChI=1S/C9H8ClNO/c1-12-8-4-2-3-7(5-6-11)9(8)10/h2-4H,5H2,1H3

InChI key: InChIKey=SBNAWMUTUZYWDL-UHFFFAOYSA-N

SMILES: C(C#N)C1=C(Cl)C(OC)=CC=C1

Synonyms:

• (2-Chloro-3-methoxyphenyl)acetonitrile
• 2-Chloro-3-methoxybenzyl cyanide
• 2-(2-Chloro-3-methoxyphenyl)acetonitrile
• Benzeneacetonitrile, 2-chloro-3-methoxy-
• 2-Chloro-3-methoxybenzeneacetonitrile

2-(2-Chloro-3-methoxyphenyl)acetonitrile

CAS: 52516-45-7

Versatile small molecule scaffold

Formula: C₉H₈ClNO

Purity: Min. 95%

Molecular weight: 181.62 g/mol

Ref: 3D-CCA51645