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CS-W001157 4
Total: USD 88.00

1,8-Dinitroanthraquinone

  • CAS No. 129-39-5

  • Cat. No. CS-0010167
  • Molecule weight298.21
  • Purity≥97%
  • MDL No.MFCD00604817

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

1,8-Dinitroanthraquinone|CS-0010167

Structure of 129-39-5

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General Information

  • CAS No. 129-39-5
  • Cat. No. CS-0010167
  • Purity ≥97%
  • MDL No. MFCD00604817
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₆N₂O₆
  • Molecular Weight 298.21
  • Synonym(s) None
  • SMILES O=C1C2=C(C=CC=C2[N+]([O-])=O)C(C3=CC=CC([N+]([O-])=O)=C13)=O

Synthesis

  • Route1
    • 1,5-Dinitroanthracene-9,10-dione|CS-W014544
      82-35-9
    • ~75%
    • 1,8-Dinitroanthraquinone|CS-0010167
      129-39-5

    References

    • BASF Aktiengesellschaft Patent: US4053488 A1, 1977 ;
  • Route2

    References

    • US3963761 A1, ;
  • Route3
    • null|null
      57875-61-3
    • ~%
    • 1,8-Dinitroanthraquinone|CS-0010167
      129-39-5

    References

    • US3963762 A1, ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   120.42
  • LogP   2.2784
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   2

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