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CS-W001157 4
Total: USD 88.00

5,6-Dinitro-1,3-dihydro-2H-benzo[d]imidazol-2-one

  • CAS No. 3705-86-0

  • Cat. No. CS-0544706
  • Purity≥98%
  • MDL No.None

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

5,6-Dinitro-1,3-dihydro-2H-benzo[d]imidazol-2-one|CS-0544706

Structure of 3705-86-0

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General Information

  • CAS No. 3705-86-0
  • Cat. No. CS-0544706
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄N₄O₅
  • Molecular Weight 224.13
  • Synonym(s) 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one
  • SMILES C1=C2C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)N2

Synthesis

  • Route1
    • 1,3-Dihydro-2H-benzo[d]imidazol-2-one Rabeprazole Impurity|CS-0166731
      615-16-7
    • ~79%
    • 5,6-Dinitro-1,3-dihydro-2H-benzo[d]imidazol-2-one|CS-0544706
      3705-86-0

    References

    • Yao, Jun-Liang; Gao, Xing; Sun, Wenliang; Shi, Shuo; Yao, Tian-Ming Dalton Transactions, 2013 , vol. 42, # 16 p. 5661 - 5672
  • Route2
    • null|null
      95-54-5
    • ~%
    • 5,6-Dinitro-1,3-dihydro-2H-benzo[d]imidazol-2-one|CS-0544706
      3705-86-0

    References

    • Yao, Jun-Liang; Gao, Xing; Sun, Wenliang; Shi, Shuo; Yao, Tian-Ming Dalton Transactions, 2013 , vol. 42, # 16 p. 5661 - 5672
  • Route3

    References

    • Schindlbauer; Kwiecinski Monatshefte fuer Chemie, 1976 , vol. 107, p. 1307

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   134.93
  • LogP   0.6726
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   2

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