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2-Amino-4-chloro-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

  • CAS No. 85840-23-9

  • Cat. No. CS-0150048
  • Molecule weight170.56
  • Purity≥90%
  • MDL No.MFCD20700609

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

2-Amino-4-chloro-6-oxo-1,6-dihydropyrimidine-5-carbonitrile|CS-0150048

Structure of 85840-23-9

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General Information

  • CAS No. 85840-23-9
  • Cat. No. CS-0150048
  • Purity ≥90%
  • MDL No. MFCD20700609
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₃ClN₄O
  • Molecular Weight 170.56
  • Synonym(s) 2-amino-4-chloro-1,6-dihydro-6-oxo-5-pyrimidinecarbonitrile
  • SMILES N#CC1=C(NC(NC1=O)=N)Cl

Synthesis

  • Route1
    • null|null
      85840-22-8
    • ~28%
    • 2-Amino-4-chloro-6-oxo-1,6-dihydropyrimidine-5-carbonitrile|CS-0150048
      85840-23-9

    References

    • Bell, Lawrence; McGuire, H. Michael; Freeman, G. Andrew Journal of Heterocyclic Chemistry, 1983 , vol. 20, p. 41 - 44
  • Route2

    References

    • Bell, Lawrence; McGuire, H. Michael; Freeman, G. Andrew Journal of Heterocyclic Chemistry, 1983 , vol. 20, p. 41 - 44

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

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Computational Chemistry Data

  • TPSA   96.29
  • LogP   -0.29245
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   0

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