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CAS 4138-20-9

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2-Chloro-6-(1,1-dimethylethyl)-3-pyridinecarbonitrile

Description:
2-Chloro-6-(1,1-dimethylethyl)-3-pyridinecarbonitrile, with the CAS number 4138-20-9, is a chemical compound characterized by its pyridine ring structure, which is a six-membered aromatic ring containing one nitrogen atom. This compound features a chloro substituent at the 2-position and a tert-butyl group at the 6-position, along with a cyano group at the 3-position of the pyridine ring. It is typically a solid at room temperature and is known for its stability under standard conditions. The presence of the cyano group contributes to its potential reactivity, making it useful in various synthetic applications, particularly in the field of pharmaceuticals and agrochemicals. The compound's unique structure may impart specific biological activities, and it can be analyzed using techniques such as NMR spectroscopy and mass spectrometry for characterization. Safety data sheets should be consulted for handling and storage guidelines, as it may pose health risks if not managed properly.
Formula:C10H11ClN2
InChI:InChI=1S/C10H11ClN2/c1-10(2,3)8-5-4-7(6-12)9(11)13-8/h4-5H,1-3H3
InChI key:InChIKey=ZGAPRXSQJGVERK-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C=1N=C(Cl)C(C#N)=CC1
Synonyms:
  • Nicotinonitrile, 6-tert-butyl-2-chloro-
  • 2-Chloro-6-(1,1-dimethylethyl)-3-pyridinecarbonitrile
  • 6-tert-Butyl-2-chloronicotinonitrile
  • 6-tert-Butyl-2-chloro-3-pyridinecarbonitrile
  • 3-Pyridinecarbonitrile, 2-chloro-6-(1,1-dimethylethyl)-
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