CAS 95104-22-6

3-Quinolinecarbonitrile, 2-chloro-6,7-dimethyl-

Description:

3-Quinolinecarbonitrile, 2-chloro-6,7-dimethyl- is an organic compound characterized by its quinoline structure, which consists of a bicyclic aromatic system containing a nitrogen atom. The presence of a cyano group (-C≡N) at the 3-position and a chloro substituent at the 2-position, along with two methyl groups at the 6 and 7 positions, contributes to its unique chemical properties. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential applications in pharmaceuticals, agrochemicals, and as a building block in organic synthesis. The presence of the cyano group can enhance reactivity, making it a useful intermediate in various chemical reactions. Additionally, the chlorine and methyl groups can influence the compound's electronic properties and steric hindrance, affecting its reactivity and interaction with biological targets. Safety data should be consulted for handling and storage, as with all chemical substances.

Formula: C₁₂H₉ClN₂

InChI: InChI=1S/C12H9ClN2/c1-7-3-9-5-10(6-14)12(13)15-11(9)4-8(7)2/h3-5H,1-2H3

InChI key: InChIKey=RWTVCAFOPUIWIV-UHFFFAOYSA-N

SMILES: C(#N)C1=CC2=C(N=C1Cl)C=C(C)C(C)=C2

Synonyms:

• 3-Quinolinecarbonitrile, 2-chloro-6,7-dimethyl-
• 2-Chloro-6,7-dimethyl-quinoline-3-carbonitrile
• 2-Chloro-6,7-dimethylquinoline-3-carbonitrile