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CAS 329187-59-9

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4-[(4,6-Dichloro-2-pyrimidinyl)amino]benzonitrile

Description:
4-[(4,6-Dichloro-2-pyrimidinyl)amino]benzonitrile, with the CAS number 329187-59-9, is a chemical compound characterized by its complex structure that includes a benzonitrile moiety and a dichloropyrimidine group. This compound typically appears as a solid and is known for its potential applications in pharmaceuticals, particularly in the development of anti-cancer agents or other therapeutic agents due to its ability to interact with biological targets. The presence of chlorine atoms in the pyrimidine ring enhances its biological activity and solubility properties. The compound's molecular structure contributes to its reactivity and stability, making it a subject of interest in medicinal chemistry. Additionally, its synthesis involves specific organic reactions that allow for the introduction of the dichloropyrimidine and benzonitrile functionalities. As with many chemical substances, safety data sheets should be consulted for handling and toxicity information, as the presence of halogens can influence both environmental and health-related aspects.
Formula:C11H6Cl2N4
InChI:InChI=1S/C11H6Cl2N4/c12-9-5-10(13)17-11(16-9)15-8-3-1-7(6-14)2-4-8/h1-5H,(H,15,16,17)
InChI key:InChIKey=MPEUVAXCNNGXQX-UHFFFAOYSA-N
SMILES:N(C=1N=C(Cl)C=C(Cl)N1)C2=CC=C(C#N)C=C2
Synonyms:
  • 2-(4-Cyanophenylamino)-4,6-dichloropyrimidine
  • 4-(4,6-Dichloropyrimidin-2-Ylamino)Benzonitrile
  • 4-[(4,6-Dichloro-2-Pyrimidin-Yl)Amino]Benzonitrile
  • 4-[(4,6-Dichloro-2-pyrimidinyl)amino]benzonitrile
  • Benzonitrile, 4-[(4,6-Dichloro-2-Pyrimidinyl)Amino]-
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