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CAS 114969-65-2

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5-Chloro-4-pyrimidinecarbonitrile

Description:
5-Chloro-4-pyrimidinecarbonitrile is a heterocyclic organic compound characterized by the presence of a pyrimidine ring, which is a six-membered aromatic ring containing two nitrogen atoms at positions 1 and 3. The compound features a chloro substituent at the 5-position and a cyano group (-C≡N) at the 4-position of the pyrimidine ring. This structure contributes to its potential reactivity and applications in various chemical syntheses. It is typically a crystalline solid and may exhibit moderate solubility in polar organic solvents. The presence of both the chloro and cyano groups can enhance its reactivity, making it useful in the synthesis of pharmaceuticals and agrochemicals. Additionally, compounds like 5-Chloro-4-pyrimidinecarbonitrile may exhibit biological activity, which can be explored in medicinal chemistry. Safety data should be consulted for handling, as halogenated compounds can pose health risks. Overall, this compound is of interest in both synthetic organic chemistry and potential applications in drug development.
Formula:C5H2ClN3
InChI:InChI=1S/C5H2ClN3/c6-4-2-8-3-9-5(4)1-7/h2-3H
InChI key:InChIKey=QNVCKHQLUNJYAU-UHFFFAOYSA-N
SMILES:C(#N)C=1C(Cl)=CN=CN1
Synonyms:
  • 5-Chloro-4-pyrimidinecarbonitrile
  • 4-Pyrimidinecarbonitrile, 5-chloro-
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