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CAS 102153-74-2

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4-(Phosphonooxy)benzonitrile

Description:
4-(Phosphonooxy)benzonitrile, with the CAS number 102153-74-2, is an organic compound characterized by the presence of a phosphonooxy group and a nitrile functional group attached to a benzene ring. This compound typically exhibits properties associated with both phosphonates and nitriles, including potential applications in agrochemicals and pharmaceuticals due to its reactivity and ability to form various derivatives. The phosphonooxy group contributes to its potential as a bioactive agent, while the nitrile group can participate in nucleophilic addition reactions. The compound is likely to be soluble in polar organic solvents, and its stability can be influenced by environmental conditions such as pH and temperature. Additionally, the presence of both functional groups may impart unique chemical reactivity, making it a subject of interest in synthetic organic chemistry. Safety data should be consulted for handling and storage, as compounds containing phosphorus and nitrile groups can pose specific hazards.
Formula:C7H6NO4P
InChI:InChI=1S/C7H6NO4P/c8-5-6-1-3-7(4-2-6)12-13(9,10)11/h1-4H,(H2,9,10,11)
InChI key:InChIKey=DPMNXNUWRHZLTN-UHFFFAOYSA-N
SMILES:O(P(=O)(O)O)C1=CC=C(C#N)C=C1
Synonyms:
  • Mono(4-cyanophenyl) phosphate
  • 4-(Phosphonooxy)benzonitrile
  • Benzonitrile, 4-(phosphonooxy)-
  • 4-Cyanophenyl phosphate
  • Benzonitrile, p-hydroxy-, phosphate
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