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CS-W001157 4
Total: USD 88.00

4,6-Dichloro-2-methylpyrimidine-5-carbonitrile

  • CAS No. 76574-36-2

  • Cat. No. CS-0045704
  • Molecule weight188.01
  • Purity≥97%
  • MDL No.MFCD07438040

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

4,6-Dichloro-2-methylpyrimidine-5-carbonitrile|CS-0045704

Structure of 76574-36-2

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General Information

  • CAS No. 76574-36-2
  • Cat. No. CS-0045704
  • Purity ≥97%
  • MDL No. MFCD07438040
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃Cl₂N₃
  • Molecular Weight 188.01
  • Synonym(s) 4,6-dichloro-2-methyl-5-pyrimidinecarbonitrile
  • SMILES N#CC1=C(Cl)N=C(C)N=C1Cl

Synthesis

  • Route1
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      201996-52-3
    • ~%
    • 4,6-Dichloro-2-methylpyrimidine-5-carbonitrile|CS-0045704
      76574-36-2

    References

    • Bennett, Lawrence R.; Blankley, C. John; Fleming, Robert W.; Smith, Ronald D.; Tessman, Deirdre K. Journal of Medicinal Chemistry, 1981 , vol. 24, # 4 p. 382 - 389
  • Route2

    References

    • Bennett, Lawrence R.; Blankley, C. John; Fleming, Robert W.; Smith, Ronald D.; Tessman, Deirdre K. Journal of Medicinal Chemistry, 1981 , vol. 24, # 4 p. 382 - 389
  • Route3

    References

    • Budesinsky; Kopecky Collection of Czechoslovak Chemical Communications, 1955 , vol. 20, p. 52,56

Safety Information

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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   49.57
  • LogP   1.9635
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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