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CS-W001157 4
Total: USD 88.00

4,6-Dichloro-5-(4-chlorophenyl)pyrimidine

  • CAS No. 3974-18-3

  • Cat. No. CS-0309870
  • Molecule weight259.51
  • Purity≥98%
  • MDL No.MFCD13151899

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

4,6-Dichloro-5-(4-chlorophenyl)pyrimidine|CS-0309870

Structure of 3974-18-3

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General Information

  • CAS No. 3974-18-3
  • Cat. No. CS-0309870
  • Purity ≥98%
  • MDL No. MFCD13151899
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₅Cl₃N₂
  • Molecular Weight 259.51
  • Synonym(s) Macitentan impurity C
  • SMILES ClC1=CC=C(C=C1)C2=C(Cl)N=CN=C2Cl

Synthesis

  • Route1
    • 5-(4-Chlorophenyl)-6-hydroxypyrimidin-4(1H)-one|CS-0503935
      3979-80-4
    • ~63%
    • 4,6-Dichloro-5-(4-chlorophenyl)pyrimidine|CS-0309870
      3974-18-3

    References

    • Matulenko, Mark A.; Paight, Ernest S.; Frey, Robin R.; Gomtsyan, Arthur; DiDomenico Jr., Stanley; Jiang, Meiqun; Lee, Chih-Hung; Stewart, Andrew O.; Yu, Haixia; Kohlhaas, Kathy L.; Alexander, Karen M.; McGaraughty, Steve; Mikusa, Joseph; Marsh, Kennan C.; Muchmore, Steven W.; Jakob, Clarissa L.; Kowaluk, Elizabeth A.; Jarvis, Michael F.; Bhagwat, Shripad S. Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 4 p. 1586 - 1605
  • Route2

    References

    • Matulenko, Mark A.; Paight, Ernest S.; Frey, Robin R.; Gomtsyan, Arthur; DiDomenico Jr., Stanley; Jiang, Meiqun; Lee, Chih-Hung; Stewart, Andrew O.; Yu, Haixia; Kohlhaas, Kathy L.; Alexander, Karen M.; McGaraughty, Steve; Mikusa, Joseph; Marsh, Kennan C.; Muchmore, Steven W.; Jakob, Clarissa L.; Kowaluk, Elizabeth A.; Jarvis, Michael F.; Bhagwat, Shripad S. Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 4 p. 1586 - 1605
  • Route3

    References

    • Matulenko, Mark A.; Paight, Ernest S.; Frey, Robin R.; Gomtsyan, Arthur; DiDomenico Jr., Stanley; Jiang, Meiqun; Lee, Chih-Hung; Stewart, Andrew O.; Yu, Haixia; Kohlhaas, Kathy L.; Alexander, Karen M.; McGaraughty, Steve; Mikusa, Joseph; Marsh, Kennan C.; Muchmore, Steven W.; Jakob, Clarissa L.; Kowaluk, Elizabeth A.; Jarvis, Michael F.; Bhagwat, Shripad S. Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 4 p. 1586 - 1605

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   4.1038
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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