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CAS 50712-68-0

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4-Chloro-2-methylbenzonitrile

Description:
4-Chloro-2-methylbenzonitrile, with the CAS number 50712-68-0, is an organic compound characterized by a benzene ring substituted with a chlorine atom and a nitrile group. It features a methyl group positioned at the second carbon relative to the nitrile group, which is attached at the fourth position. This compound typically appears as a colorless to pale yellow solid and is known for its aromatic properties. It is relatively insoluble in water but soluble in organic solvents such as ethanol and acetone. The presence of the nitrile group imparts notable reactivity, making it useful in various chemical syntheses, including the production of pharmaceuticals and agrochemicals. Additionally, the chlorine atom enhances the compound's electrophilic character, which can influence its behavior in chemical reactions. Safety precautions should be observed when handling this substance, as it may pose health risks if inhaled or ingested. Overall, 4-Chloro-2-methylbenzonitrile is a valuable compound in organic chemistry with diverse applications.
Formula:C8H6ClN
InChI:InChI=1S/C8H6ClN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,1H3
InChI key:InChIKey=ZZAJFWXXFZTTLH-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C)C=C(Cl)C=C1
Synonyms:
  • 2-Cyano-5-chlorotoluene
  • 2-Methyl-4-chlorobenzonitrile
  • 4-Chloro-2-methyl-benzonitrile
  • Benzonitrile, 4-chloro-2-methyl-
  • 4-Chloro-2-methylbenzonitrile
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