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CAS 873-67-6

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Benzonitrile, N-oxide

Description:
Benzonitrile, N-oxide, also known as benzonitrile oxide, is an organic compound characterized by the presence of a nitrile functional group (-C≡N) and an N-oxide group (-N=O) attached to a benzene ring. Its molecular formula is C7H5NO, indicating it consists of seven carbon atoms, five hydrogen atoms, one nitrogen atom, and one oxygen atom. This compound typically appears as a colorless to pale yellow liquid with a distinctive odor. Benzonitrile, N-oxide is known for its reactivity, particularly in organic synthesis, where it can participate in various chemical reactions, including cycloadditions and rearrangements. It is also used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. The compound is soluble in organic solvents but has limited solubility in water. Safety data indicates that it should be handled with care, as it may pose health risks upon exposure. Proper storage and handling protocols are essential to mitigate any potential hazards associated with this chemical.
Formula:C7H5NO
InChI:InChI=1S/C7H5NO/c9-8-6-7-4-2-1-3-5-7/h1-5H
InChI key:InChIKey=QUNPTMGXSSDZHZ-UHFFFAOYSA-N
SMILES:C(#N=O)C1=CC=CC=C1
Synonyms:
  • Benzonitrile, N-oxide
  • Benzonitrile, Oxide
  • Phenylnitrile oxide
  • (Phenylmethylidyne)azane oxide
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