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CS-W001157 4
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3-Amino-6-nitro-2H-chromen-2-one

  • CAS No. 79892-85-6

  • Cat. No. CS-0547909
  • Molecule weight206.15
  • Purity≥98%
  • MDL No.None

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

3-Amino-6-nitro-2H-chromen-2-one|CS-0547909

Structure of 79892-85-6

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General Information

  • CAS No. 79892-85-6
  • Cat. No. CS-0547909
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂O₄
  • Molecular Weight 206.15
  • Synonym(s) 3-Amino-6-(hydroxy(oxido)amino)-2H-chromen-2-one
  • SMILES C1=CC2=C(C=C1[N+](=O)[O-])C=C(C(=O)O2)N

Synthesis

  • Route1
    • null|null
      787-63-3
    • ~72%
    • 3-Amino-6-nitro-2H-chromen-2-one|CS-0547909
      79892-85-6

    References

    • Warner-Lambert Company Patent: US4287126 A1, 1981 ;
  • Route2
    • null|null
      205239-08-3
    • ~99%
    • 3-Amino-6-nitro-2H-chromen-2-one|CS-0547909
      79892-85-6

    References

    • Bonsignore, Leonardo; Loy, Giuseppe Journal of Heterocyclic Chemistry, 1998 , vol. 35, # 1 p. 117 - 119
  • Route3

    References

    • Kudale, Amit A.; Kendall, Jamie; Warford, C. Chad; Wilkins, Natasha D.; Bodwell, Graham J. Tetrahedron Letters, 2007 , vol. 48, # 29 p. 5077 - 5080

Safety Information

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

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Computational Chemistry Data

  • TPSA   99.37
  • LogP   1.2834
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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