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CAS 13726-21-1

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2-(4-Chloro-3-methoxyphenyl)acetonitrile

Description:
2-(4-Chloro-3-methoxyphenyl)acetonitrile, with the CAS number 13726-21-1, is an organic compound characterized by its aromatic structure and functional groups. It features a chloro substituent and a methoxy group on a phenyl ring, contributing to its chemical reactivity and potential applications. The presence of the acetonitrile group indicates that it contains a cyano functional group, which is known for its ability to participate in various chemical reactions, including nucleophilic additions and substitutions. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential uses in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. The chloro and methoxy groups can influence the compound's electronic properties, making it a candidate for further studies in medicinal chemistry or materials science. Safety data should be consulted for handling, as halogenated compounds can pose health risks.
Formula:C9H8ClNO
InChI:InChI=1S/C9H8ClNO/c1-12-9-6-7(4-5-11)2-3-8(9)10/h2-3,6H,4H2,1H3
InChI key:InChIKey=XOSGKJSNVLAMGY-UHFFFAOYSA-N
SMILES:O(C)C1=CC(CC#N)=CC=C1Cl
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