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CS-W001157 4
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3',6'-Dihydroxy-6-nitro-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one

  • CAS No. 27402-68-2

  • Cat. No. CS-W011773
  • Purity≥98%
  • MDL No.None

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

3',6'-Dihydroxy-6-nitro-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one|CS-W011773

Structure of 27402-68-2

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General Information

  • CAS No. 27402-68-2
  • Cat. No. CS-W011773
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₁₁NO₇
  • Molecular Weight 377.31
  • Synonym(s) Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-6-nitro-
  • SMILES O=C1OC2(C3=C(OC4=C2C=CC(O)=C4)C=C(O)C=C3)C5=C1C=CC([N+]([O-])=O)=C5

Synthesis

  • Route1

    References

    • Tomasch, Miriam; Schwed, J. Stephan; Kuczka, Karina; Meyer Dos Santos, Sascha; Harder, Sebastian; Nuesing, Rolf M.; Paulke, Alexander; Stark, Holger ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 9 p. 774 - 779
  • Route2

    References

    • Cihelnik, Simon; Stibor, Ivan; Lhotak, Pavel Collection of Czechoslovak Chemical Communications, 2002 , vol. 67, # 12 p. 1779 - 1789
  • Route3
    • 4-Nitrophthalic acid Apremilast Impurity|CS-0173715
      610-27-5
    • ~%
    • 3',6'-Dihydroxy-6-nitro-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one|CS-W011773
      27402-68-2

    References

    • Tomasch, Miriam; Schwed, J. Stephan; Kuczka, Karina; Meyer Dos Santos, Sascha; Harder, Sebastian; Nuesing, Rolf M.; Paulke, Alexander; Stark, Holger ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 9 p. 774 - 779

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   119.13
  • LogP   3.574
  • H_Acceptors   7
  • H_Donors   2
  • Rotatable_Bonds   1

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