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CAS 21872-32-2

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[(1S)-1-isocyanoethyl]benzene

Description:
[(1S)-1-isocyanoethyl]benzene, also known as isocyanoethylbenzene, is an organic compound characterized by the presence of both an isocyanide functional group and a benzene ring. The isocyanide group (-N≡C) is known for its unique reactivity, often participating in nucleophilic addition reactions. This compound typically appears as a colorless to pale yellow liquid with a distinctive odor. Its molecular structure features a chiral center, which contributes to its stereochemistry, specifically the (1S) configuration. The presence of the benzene ring imparts aromatic stability and influences the compound's physical properties, such as solubility and boiling point. Isocyano compounds are generally known for their applications in organic synthesis, particularly in the formation of various nitrogen-containing heterocycles. Due to the reactivity of the isocyanide group, [(1S)-1-isocyanoethyl]benzene can be utilized in various chemical reactions, including those involving nucleophiles and electrophiles. Safety precautions should be observed when handling this compound, as isocyanides can be toxic and irritating.
Formula:C9H9N
InChI:InChI=1/C9H9N/c1-8(10-2)9-6-4-3-5-7-9/h3-8H,1H3/t8-/m0/s1
InChI key:KCCAPMXVCPVFEH-QMMMGPOBSA-N
SMILES:C[C@@H](c1ccccc1)[N+]#[C-]
Synonyms:
  • (1S)-1-Phenylethyl isocyanide
  • (S)-α-phenylethyl isocyanide
  • 21872-32-2
  • Benzene, [(1S)-1-isocyanoethyl]-
  • [(1S)-1-Isocyanoethyl]benzene
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