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CAS 117568-27-1

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2-Nitro-4,5-bis(phenylmethoxy)benzeneacetonitrile

Description:
2-Nitro-4,5-bis(phenylmethoxy)benzeneacetonitrile, with the CAS number 117568-27-1, is an organic compound characterized by its complex structure, which includes a nitro group and two phenylmethoxy substituents attached to a benzene ring. This compound typically exhibits a crystalline form and is likely to be soluble in organic solvents due to the presence of the phenyl groups, which enhance its lipophilicity. The nitro group introduces polarity and can influence the compound's reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. Its acetonitrile functional group suggests potential applications in organic synthesis and as an intermediate in the production of pharmaceuticals or agrochemicals. The presence of multiple aromatic rings may also impart interesting electronic properties, making it useful in materials science or as a dye. However, specific physical properties such as melting point, boiling point, and spectral data would require empirical measurement or literature reference for precise characterization.
Formula:C22H18N2O4
InChI:InChI=1S/C22H18N2O4/c23-12-11-19-13-21(27-15-17-7-3-1-4-8-17)22(14-20(19)24(25)26)28-16-18-9-5-2-6-10-18/h1-10,13-14H,11,15-16H2
InChI key:InChIKey=DPVIYAXAQYTSRV-UHFFFAOYSA-N
SMILES:O(CC1=CC=CC=C1)C2=C(OCC3=CC=CC=C3)C=C(CC#N)C(N(=O)=O)=C2
Synonyms:
  • 2-(4,5-Bis(benzyloxy)-2-nitrophenyl)acetonitrile
  • 2-Nitro-4,5-bis(phenylmethoxy)benzeneacetonitrile
  • Benzeneacetonitrile, 2-nitro-4,5-bis(phenylmethoxy)-
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