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CS-W001157 4
Total: USD 88.00

4-Bromo-5-(trifluoromethyl)benzene-1,2-diamine

  • CAS No. 157590-60-8

  • Cat. No. CS-0087936
  • Purity≥97%
  • MDL No.MFCD09263998

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

4-Bromo-5-(trifluoromethyl)benzene-1,2-diamine|CS-0087936

Structure of 157590-60-8

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General Information

  • CAS No. 157590-60-8
  • Cat. No. CS-0087936
  • Purity ≥97%
  • MDL No. MFCD09263998
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrF₃N₂
  • Molecular Weight 255.04
  • Synonym(s) 2-Amino-4-bromo-5-(trifluoromethyl)phenylamine
  • SMILES NC1=C(N)C=C(Br)C(C(F)(F)F)=C1

Synthesis

  • Route1

    References

    • CalciMedica, Inc. Patent: US2011/263612 A1, 2011 ; Location in patent: Page/Page column 135 ; US 20110263612 A1
  • Route2
    • 5-Bromo-2-nitro-4-(trifluoromethyl)benzenamine|CS-1099644
      1026267-58-2
    • ~%
    • In-stock
      4-Bromo-5-(trifluoromethyl)benzene-1,2-diamine|CS-0087936
      157590-60-8

    References

    • Journal of Medicinal Chemistry, , vol. 38, # 22 p. 4367 - 4379
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 49, # 12 p. 3719 - 3742

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   52.04
  • LogP   2.6323
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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