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CAS 449778-68-1

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4-(4-Chloro-3-fluorophenoxy)benzonitrile

Description:
4-(4-Chloro-3-fluorophenoxy)benzonitrile, with the CAS number 449778-68-1, is an organic compound characterized by its aromatic structure, which includes a benzonitrile moiety and a phenoxy group. This compound features a chloro and a fluoro substituent on the aromatic ring, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific solvent characteristics. The presence of the nitrile group (-C≡N) indicates potential reactivity, particularly in nucleophilic addition reactions. Additionally, the halogen substituents can influence the compound's electronic properties, potentially affecting its reactivity and interaction with biological systems. This compound may be of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity and utility as a synthetic intermediate. Safety data should be consulted for handling and storage, as halogenated compounds can pose environmental and health risks.
Formula:C13H7ClFNO
InChI:InChI=1S/C13H7ClFNO/c14-12-6-5-11(7-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-7H
InChI key:InChIKey=VZVAOBRUMZRTMM-UHFFFAOYSA-N
SMILES:O(C1=CC(F)=C(Cl)C=C1)C2=CC=C(C#N)C=C2
Synonyms:
  • 4-(4-Chloro-3-fluorophenoxy)benzonitrile
  • Benzonitrile, 4-(4-chloro-3-fluorophenoxy)-
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