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CS-W001157 4
Total: USD 88.00

4-Chloro-5H-pyrimido[5,4-b]indole

  • CAS No. 98792-02-0

  • Cat. No. CS-0207314
  • Purity≥97%
  • MDL No.MFCD00457089

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

4-Chloro-5H-pyrimido[5,4-b]indole|CS-0207314

Structure of 98792-02-0

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General Information

  • CAS No. 98792-02-0
  • Cat. No. CS-0207314
  • Purity ≥97%
  • MDL No. MFCD00457089
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆ClN₃
  • Molecular Weight 203.63
  • Synonym(s) 4-chloro-5H-pyrimido[5,6-b]indole
  • SMILES C1=CC=C2C(=C1)C3=C(C(=NC=N3)Cl)N2

Synthesis

  • Route1
    • 1,5-dihydro-4H-pyrimido[5,4-b]indol-4-one|CS-0186826
      61553-71-7
    • ~67%
    • 4-Chloro-5H-pyrimido[5,4-b]indole|CS-0207314
      98792-02-0

    References

    • Simakov, S. V.; Velezheva, V. S.; Dvorkin, V. V.; Suvarov, N. N. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1985 , vol. 21, # 5 p. 533 - 537 Khimiya Geterotsiklicheskikh Soedinenii, 1985 , vol. 21, # 5 p. 635 - 639
  • Route2

    References

    • Monge; Palop; Goni; et al. Journal of Heterocyclic Chemistry, 1986 , vol. 23, # 3 p. 647 - 649
  • Route3
    • null|null
      97311-03-0
    • ~%
    • 4-Chloro-5H-pyrimido[5,4-b]indole|CS-0207314
      98792-02-0

    References

    • Simakov, S. V.; Velezheva, V. S.; Dvorkin, V. V.; Suvarov, N. N. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1985 , vol. 21, # 5 p. 533 - 537 Khimiya Geterotsiklicheskikh Soedinenii, 1985 , vol. 21, # 5 p. 635 - 639

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   41.57
  • LogP   2.7645
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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