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CAS 56029-45-9

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6-(1,1-Dimethylethyl)-3-pyridinecarbonitrile

Description:
6-(1,1-Dimethylethyl)-3-pyridinecarbonitrile, with the CAS number 56029-45-9, is an organic compound characterized by its pyridine ring structure substituted with a cyano group and a tert-butyl group. The presence of the cyano group (-C≡N) imparts notable chemical reactivity, making it useful in various synthetic applications, including the formation of other organic compounds. The tert-butyl group, a bulky substituent, influences the compound's steric properties and can affect its solubility and reactivity. This compound is typically a solid at room temperature and may exhibit moderate polarity due to the electronegative nitrogen in the cyano group. Its applications can span across pharmaceuticals, agrochemicals, and materials science, where it may serve as an intermediate or a building block in the synthesis of more complex molecules. Safety data should be consulted for handling, as with many organic compounds, it may pose health hazards if not managed properly.
Formula:C10H12N2
InChI:InChI=1S/C10H12N2/c1-10(2,3)9-5-4-8(6-11)7-12-9/h4-5,7H,1-3H3
InChI key:InChIKey=JHHURKBLEGFPPB-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C1=CC=C(C#N)C=N1
Synonyms:
  • 6-tert-Butylnicotinonitrile
  • 6-tert-Butyl-3-cyanopyridine
  • 2-tert-Butyl-5-cyanopyridine
  • 3-Pyridinecarbonitrile, 6-(1,1-dimethylethyl)-
  • 6-(1,1-Dimethylethyl)-3-pyridinecarbonitrile
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