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CS-W001157 4
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1-Amino-4-bromo-1H-pyrrole-2-carbonitrile

  • CAS No. 937161-86-9

  • Cat. No. CS-0053925
  • Purity≥97%
  • MDL No.MFCD23105808

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

1-Amino-4-bromo-1H-pyrrole-2-carbonitrile|CS-0053925

Structure of 937161-86-9

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General Information

  • CAS No. 937161-86-9
  • Cat. No. CS-0053925
  • Purity ≥97%
  • MDL No. MFCD23105808
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄BrN₃
  • Molecular Weight 186.01
  • Synonym(s) 1-amino-4-bromopyrrole-2-carbonitrile
  • SMILES N#CC1=CC(Br)=CN1N

Synthesis

  • Route1
    • tert-Butyl (4-bromo-2-cyano-1H-pyrrol-1-yl)carbamate|CS-0112291
      937047-04-6
    • ~%
    • 1-Amino-4-bromo-1H-pyrrole-2-carbonitrile|CS-0053925
      937161-86-9

    References

    • LOCUS PHARMACEUTICALS, INC.; KONTEATIS, Zenon; MOFFETT, Kristofer; LEE, Younghee; CHAO, Wenchun; WONG, Dora Do-York Patent: WO2010/126960 A1, 2010 ; Location in patent: Page/Page column 57-58 ;

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   54.74
  • LogP   0.83608
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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