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CS-W001157 4
Total: USD 88.00

3-(4-Aminophenyl)-3-oxopropanenitrile

  • CAS No. 59443-94-6

  • Cat. No. CS-0566923
  • Molecule weight160.17
  • Purity≥96%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

3-(4-Aminophenyl)-3-oxopropanenitrile|CS-0566923

Structure of 59443-94-6

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General Information

  • CAS No. 59443-94-6
  • Cat. No. CS-0566923
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O
  • Molecular Weight 160.17
  • Synonym(s) Benzenepropanenitrile, 4-amino-beta-oxo-
  • SMILES N#CCC(C1=CC=C(C=C1)N)=O

Synthesis

  • Route1
    • In-stock
      1-(4-Aminophenyl)-2-chloroethan-1-one|CS-0450499
      2631-71-2
    • null|null
      151-50-8
    • ~%
    • In-stock
      3-(4-Aminophenyl)-3-oxopropanenitrile|CS-0566923
      59443-94-6

    References

    • Du Pont de Nemours and Co. Patent: US2680730 , 1950 ; Full Text Show Details Eastman Kodak Co. Patent: US2538008 , 1949 ;
  • Route2
    • null|null
      103140-29-0
    • ~%
    • In-stock
      3-(4-Aminophenyl)-3-oxopropanenitrile|CS-0566923
      59443-94-6

    References

    • Stepanow; Wul'fson Org. Poluprod. Krasit.Chem.Abstr., 1959 , # 1 p. 222,228, 229 Org. Poluprod. Krasit.Chem.Abstr., 1961 , p. 18747
  • Route3
    • 5-(4-Nitrophenyl)-1,2-oxazole-3-carboxylic acid|CS-0126483
      33282-25-6
    • ~%
    • In-stock
      3-(4-Aminophenyl)-3-oxopropanenitrile|CS-0566923
      59443-94-6

    References

    • Cusmano; Tiberio Gazzetta Chimica Italiana, 1950 , vol. 80, p. 299,304

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.88
  • LogP   1.36518
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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