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CS-W001157 4
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1-[3-nitro-4-(phenylmethoxy)phenyl]ethanone

  • CAS No. 14347-05-8

  • Cat. No. CS-0006575
  • Molecule weight271.27
  • Purity≥98%
  • MDL No.MFCD02258926

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

1-[3-nitro-4-(phenylmethoxy)phenyl]ethanone|CS-0006575

Structure of 14347-05-8

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General Information

  • CAS No. 14347-05-8
  • Cat. No. CS-0006575
  • Purity ≥98%
  • MDL No. MFCD02258926
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₃NO₄
  • Molecular Weight 271.27
  • Synonym(s) 4-Benzyloxy-3-nitroacetophenone
  • SMILES O=C(C)C1=CC=C(OCC2=CC=CC=C2)C([N+]([O-])=O)=C1

Synthesis

  • Route1

    References

    • Shan, Wen-Jun; Huang, Ling; Zhou, Qi; Jiang, Huai-Lei; Luo, Zong-Hua; Lai, Ke-Fang; Li, Xing-Shu Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 4 p. 1523 - 1526
  • Route2

    References

    • De Koning, Pieter D.; Gladwell, Iain R.; Moses, Ian B.; Panesar, Maninder S.; Pettman, Alan J.; Thomson, Nicholas M. Organic Process Research and Development, 2011 , vol. 15, # 6 p. 1247 - 1255
  • Route3
    • 4-Hydroxyacetophenone Paracetamol Impurity|CS-0229792
      99-93-4
    • ~%
    • 1-[3-nitro-4-(phenylmethoxy)phenyl]ethanone|CS-0006575
      14347-05-8

    References

    • Acta Crystallographica, Section C: Crystal Structure Communications, , vol. 50, # 8 p. 1294 - 1295

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   3.3764
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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