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1-(5-Amino-2-nitrophenyl)ethan-1-one

  • CAS No. 16994-13-1

  • Cat. No. CS-0333895
  • Molecule weight180.16
  • Purity≥97%
  • MDL No.None

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

1-(5-Amino-2-nitrophenyl)ethan-1-one|CS-0333895

Structure of 16994-13-1

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General Information

  • CAS No. 16994-13-1
  • Cat. No. CS-0333895
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O₃
  • Molecular Weight 180.16
  • Synonym(s) 1-(5-Amino-2-nitrophenyl)ethanone
  • SMILES CC(=O)C1=C(C=CC(=C1)N)[N+](=O)[O-]

Synthesis

  • Route1
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      6637-18-9
    • ~%
    • In-stock
      1-(5-Amino-2-nitrophenyl)ethan-1-one|CS-0333895
      16994-13-1

    References

    • Corrie; Reid Journal of Labelled Compounds and Radiopharmaceuticals, 1995 , vol. 36, # 3 p. 289 - 300
  • Route2

    References

    • Leonard; Boyd Journal of Organic Chemistry, 1946 , vol. 11, p. 405,412 Full Text Show Details Simpson et al. Journal of the Chemical Society, 1945 , p. 646,655

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   86.23
  • LogP   1.3796
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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