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CS-W001157 4
Total: USD 88.00

4,6-Diamino-2-bromonicotinonitrile

  • CAS No. 42530-03-0

  • Cat. No. CS-0157890
  • Purity≥95%
  • MDL No.MFCD06661848

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

4,6-Diamino-2-bromonicotinonitrile|CS-0157890

Structure of 42530-03-0

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General Information

  • CAS No. 42530-03-0
  • Cat. No. CS-0157890
  • Purity ≥95%
  • MDL No. MFCD06661848
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅BrN₄
  • Molecular Weight 213.03
  • Synonym(s) 4,6-diamino-2-bromopyridine-3-carbonitrile
  • SMILES N#CC1=C(Br)N=C(N)C=C1N

Synthesis

  • Route1
    • null|null
      109-77-3
    • ~49%
    • 4,6-Diamino-2-bromonicotinonitrile|CS-0157890
      42530-03-0

    References

    • Warner-Lambert Company Patent: US5654307 A1, 1997 ; US 5654307 A
  • Route2
    • null|null
      107-06-2
    • null|null
      109-77-3
    • ~%
    • 4,6-Diamino-2-bromonicotinonitrile|CS-0157890
      42530-03-0

    References

    • Warner-Lambert Company Patent: US6150359 A1, 2000 ; US 6150359 A
  • Route3

    References

    • Durmus, Asuman; Gunbas, Gorkem; Farmer, Steven C.; Olmstead, Marilyn M.; Mascal, Mark; Legese, Belete; Cho, Jae-Young; Beingessner, Rachel L.; Yamazaki, Takeshi; Fenniri, Hicham Journal of Organic Chemistry, 2013 , vol. 78, # 22 p. 11421 - 11426

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

Quality Control

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Computational Chemistry Data

  • TPSA   88.72
  • LogP   0.88018
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   0

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