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CS-W001157 4
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Ethyl 4-nitrobenzene-1-carboximidate hydrochloride

  • CAS No. 40546-45-0

  • Cat. No. CS-0122255
  • Molecule weight230.65
  • Purity≥98%
  • MDL No.MFCD17015536

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

Ethyl 4-nitrobenzene-1-carboximidate hydrochloride|CS-0122255

Structure of 40546-45-0

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General Information

  • CAS No. 40546-45-0
  • Cat. No. CS-0122255
  • Purity ≥98%
  • MDL No. MFCD17015536
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁ClN₂O₃
  • Molecular Weight 230.65
  • Synonym(s) None
  • SMILES N=C(C1=CC=C([N+]([O-])=O)C=C1)OCC.[H]Cl

Synthesis

  • Route1

    References

    • Kelly, David P.; Bateman, Stuart A.; Hook, Robert J.; Martin, Roger F.; Reum, Monica E.; et al. Australian Journal of Chemistry, 1994 , vol. 47, # 9 p. 1751 - 1770
  • Route2

    References

    • The Green Cross Corporation Patent: US5948785 A1, 1999 ; US 5948785 A

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   76.22
  • LogP   2.37847
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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