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CS-W001157 4
Total: USD 88.00

1-(4-Nitrophenyl)butane-1,3-dione

  • CAS No. 4023-82-9

  • Cat. No. CS-0236801
  • Molecule weight207.18
  • Purity≥95%
  • MDL No.None

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

1-(4-Nitrophenyl)butane-1,3-dione|CS-0236801

Structure of 4023-82-9

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General Information

  • CAS No. 4023-82-9
  • Cat. No. CS-0236801
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₄
  • Molecular Weight 207.18
  • Synonym(s) 1,3-Butanedione, 1-(4-nitrophenyl)-
  • SMILES O=C(C1=CC=C(C=C1)[N+](=O)[O-])CC(=O)C

Synthesis

  • Route1
    • null|null
      108-24-7
    • p-Nitrophenyl methyl ketone Clenbuterol  Impurity|CS-0229063
      100-19-6
    • ~72%
    • 1-(4-Nitrophenyl)butane-1,3-dione|CS-0236801
      4023-82-9

    References

    • Elmorsy, Saad S.; Badawy, Doria S.; Khatab, Tamer K. Phosphorus, Sulfur and Silicon and the Related Elements, 2005 , vol. 180, # 1 p. 109 - 116
  • Route2
    • null|null
      88958-64-9
    • ~99%
    • 1-(4-Nitrophenyl)butane-1,3-dione|CS-0236801
      4023-82-9

    References

    • Bartlett, Samuel L.; Beaudry, Christopher M. Journal of Organic Chemistry, 2011 , vol. 76, # 23 p. 9852 - 9855
  • Route3
    • null|null
      1286722-85-7
    • ~77%
    • 1-(4-Nitrophenyl)butane-1,3-dione|CS-0236801
      4023-82-9

    References

    • Berti, Federico; Bincoletto, Simone; Donati, Ivan; Fontanive, Giampaolo; Fregonese, Massimo; Benedetti, Fabio Organic and Biomolecular Chemistry, 2011 , vol. 9, # 6 p. 1987 - 1999

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   77.28
  • LogP   1.7566
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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