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CS-W001157 4
Total: USD 88.00

1-(3-Methoxy-4-nitrophenyl)ethan-1-one

  • CAS No. 22106-39-4

  • Cat. No. CS-0159912
  • Purity≥97%
  • MDL No.MFCD00075788

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

1-(3-Methoxy-4-nitrophenyl)ethan-1-one|CS-0159912

Structure of 22106-39-4

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General Information

  • CAS No. 22106-39-4
  • Cat. No. CS-0159912
  • Purity ≥97%
  • MDL No. MFCD00075788
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) 1-(3-Methoxy-4-nitrophenyl)ethanone
  • SMILES CC(C1=CC=C([N+]([O-])=O)C(OC)=C1)=O

Synthesis

  • Route1
    • null|null
      67579-92-4
    • In-stock
      Dimethyl malonate|CS-0019394
      108-59-8
    • ~58%
    • In-stock
      1-(3-Methoxy-4-nitrophenyl)ethan-1-one|CS-0159912
      22106-39-4

    References

    • Michaelides, Michael R.; Curtin, Michael L.; Dai, Yujia; Davidsen, Steven K.; Frey, Robin R.; Guo, Yan; Ji, Zhiqin Patent: US2003/225273 A1, 2003 ; Location in patent: Page 36 ;
  • Route2
    • null|null
      91-23-6
    • ~%
    • In-stock
      1-(3-Methoxy-4-nitrophenyl)ethan-1-one|CS-0159912
      22106-39-4

    References

    • Journal of Chemical Research - Part S, , # 8 p. 504 - 505
  • Route3

    References

    • Bulletin de la Societe Chimique de France, , p. 2255 - 2261

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   1.806
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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