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CS-W001157 4
Total: USD 88.00

N-benzyl-6-chloro-5-nitropyrimidin-4(3H)-imine

  • CAS No. 54413-44-4

  • Cat. No. CS-0322946
  • Molecule weight264.67
  • Purity95+%
  • MDL No.None

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

N-benzyl-6-chloro-5-nitropyrimidin-4(3H)-imine|CS-0322946

Structure of 54413-44-4

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General Information

  • CAS No. 54413-44-4
  • Cat. No. CS-0322946
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉ClN₄O₂
  • Molecular Weight 264.67
  • Synonym(s) N-benzyl-6-chloro-5-nitropyrimidin-4-amine
  • SMILES C1=CC=C(C=C1)CN=C2C(=C(Cl)N=CN2)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Kelley, James L.; McLean, Ed W.; Linn, James A.; Krochmal, Mark P.; Ferris, Robert M.; Howard, James L. Journal of Medicinal Chemistry, 1990 , vol. 33, # 1 p. 196 - 202

Safety Information

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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-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   84.18
  • LogP   2.0722
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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