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2-Bromo-1-(3-methoxy-4-nitrophenyl)ethan-1-one

  • CAS No. 90725-63-6

  • Cat. No. CS-0325918
  • Purity≥98%
  • MDL No.None

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

2-Bromo-1-(3-methoxy-4-nitrophenyl)ethan-1-one|CS-0325918

Structure of 90725-63-6

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General Information

  • CAS No. 90725-63-6
  • Cat. No. CS-0325918
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrNO₄
  • Molecular Weight 274.07
  • Synonym(s) 2-Bromo-1-(3-methoxy-4-nitrophenyl)-1-ethanone
  • SMILES COC1=C(C=CC(=C1)C(=O)CBr)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      67579-92-4
    • null|null
      18107-18-1
    • ~99%
    • 2-Bromo-1-(3-methoxy-4-nitrophenyl)ethan-1-one|CS-0325918
      90725-63-6

    References

    • PFIZER PRODUCTS INC. Patent: WO2008/26046 A1, 2008 ; Location in patent: Page/Page column 32 ; WO 2008/026046 A1
  • Route2

    References

    • Bulletin de la Societe Chimique de France, , p. 2255 - 2261
  • Route3

    References

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

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   2.181
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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