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CS-W001157 4
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5-(Benzyloxy)-2-nitrobenzaldehyde

  • CAS No. 58662-54-7

  • Cat. No. CS-0580638
  • Purity≥98%
  • MDL No.None

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

5-(Benzyloxy)-2-nitrobenzaldehyde|CS-0580638

Structure of 58662-54-7

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General Information

  • CAS No. 58662-54-7
  • Cat. No. CS-0580638
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁NO₄
  • Molecular Weight 257.24
  • Synonym(s) Benzaldehyde,2-nitro-5-(phenylmethoxy)
  • SMILES O=CC1=CC(OCC2=CC=CC=C2)=CC=C1[N+]([O-])=O

Synthesis

  • Route1

    References

    • Ren, Lei; Lei, Tao; Ye, Jia-Xi; Gong, Liu-Zhu Angewandte Chemie - International Edition, 2012 , vol. 51, # 3 p. 771 - 774
  • Route2

    References

    • Roche, Olivier; Rodriguez Sarmiento, Rosa Maria Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 13 p. 3670 - 3675
  • Route3
    • In-stock
      4-Hydroxy-2-nitrobenzaldehyde|CS-0133797
      90151-04-5
    • null|null
      100-39-0
    • ~%
    • 5-(Benzyloxy)-2-nitrobenzaldehyde|CS-0580638
      58662-54-7
    • 4-(Benzyloxy)-2-nitrobenzaldehyde|CS-0678483
      92163-84-3

    References

    • Woltering, Michael; Haning, Helmut; Schmidt, Gunter; Pernerstorfer, Josef; Bischoff, Hilmar; Kretschmer, Axel; Vohringer, Verena; Faeste, Christiane Patent: US2002/193610 A1, 2002 ;

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

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   2.9863
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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