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5-Bromo-3-phenyl-1H-indazole

  • CAS No. 57639-16-4

  • Cat. No. CS-0156350
  • Molecule weight273.13
  • Purity≥95%
  • MDL No.MFCD08549635

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

5-Bromo-3-phenyl-1H-indazole|CS-0156350

Structure of 57639-16-4

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General Information

  • CAS No. 57639-16-4
  • Cat. No. CS-0156350
  • Purity ≥95%
  • MDL No. MFCD08549635
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉BrN₂
  • Molecular Weight 273.13
  • Synonym(s) Kinome_2485
  • SMILES C1=CC=C(C=C1)C2=NNC3=C2C=C(C=C3)Br

Synthesis

  • Route1

    References

    • Roche Palo Alto LLC Patent: US2007/37974 A1, 2007 ; Location in patent: Page/Page column 22 ; US 20070037974 A1
  • Route2
    • null|null
      1431709-02-2
    • ~84%
    • 5-Bromo-3-phenyl-1H-indazole|CS-0156350
      57639-16-4

    References

    • Lian, Yajing; Bergman, Robert G.; Lavis, Luke D.; Ellman, Jonathan A. Journal of the American Chemical Society, 2013 , vol. 135, # 19 p. 7122 - 7125
  • Route3

    References

    • Liu, Zhenxing; Wang, Long; Tan, Haocheng; Zhou, Shiyi; Fu, Tianren; Xia, Ying; Zhang, Yan; Wang, Jianbo Chemical Communications, 2014 , vol. 50, # 39 p. 5061 - 5063

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   28.68
  • LogP   3.9924
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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