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CS-W001157 4
Total: USD 88.00

1-(4-Nitrophenoxy)propan-2-one

  • CAS No. 6698-72-2

  • Cat. No. CS-0551301
  • Purity≥98%
  • MDL No.None

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

1-(4-Nitrophenoxy)propan-2-one|CS-0551301

Structure of 6698-72-2

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General Information

  • CAS No. 6698-72-2
  • Cat. No. CS-0551301
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) 1-(4-NITROPHENOXY)-2-PROPANONE
  • SMILES CC(=O)COC1=CC=C(C=C1)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      100-02-7
    • null|null
      78-95-5
    • ~80%
    • In-stock
      1-(4-Nitrophenoxy)propan-2-one|CS-0551301
      6698-72-2

    References

    • Eisai Chemical Co., Ltd. Patent: US5565586 A1, 1996 ;
  • Route2
    • null|null
      100-02-7
    • null|null
      2684-62-0
    • ~71%
    • In-stock
      1-(4-Nitrophenoxy)propan-2-one|CS-0551301
      6698-72-2

    References

    • Qu, Zhaohui; Shi, Weifeng; Wang, Jianbo Journal of Organic Chemistry, 2004 , vol. 69, # 1 p. 217 - 219
  • Route3
    • null|null
      10572-15-3
    • ~%
    • In-stock
      1-(4-Nitrophenoxy)propan-2-one|CS-0551301
      6698-72-2

    References

    • Wyrick; Piantadosi Journal of Medicinal Chemistry, 1978 , vol. 21, # 4 p. 386 - 390

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   1.5626
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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