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CS-W001157 4
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5-Bromo-3-(trifluoromethyl)benzene-1,2-diamine

  • CAS No. 157026-19-2

  • Cat. No. CS-0060174
  • Purity≥98%
  • MDL No.MFCD08741393

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

5-Bromo-3-(trifluoromethyl)benzene-1,2-diamine|CS-0060174

Structure of 157026-19-2

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General Information

  • CAS No. 157026-19-2
  • Cat. No. CS-0060174
  • Purity ≥98%
  • MDL No. MFCD08741393
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrF₃N₂
  • Molecular Weight 255.04
  • Synonym(s) 2,3-diamino-5-bromobenzotrifluoride
  • SMILES C1=C(C=C(C(=C1C(F)(F)F)N)N)Br

Synthesis

  • Route1

    References

    • GLAXOSMITHKLINE LLC; BANKA, Anna; CATALANO, John G; FANG, Jing; PEAT, Andrew James; TAI, Vincent; TURNER, Elizabeth Patent: WO2011/97491 A1, 2011 ; Location in patent: Page/Page column 159 ;
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 38, # 22 p. 4367 - 4379
  • Route3
    • N-Acetyl-4-bromo-2-trifluoromethylaniline|CS-0211299
      29124-62-7
    • ~%
    • In-stock
      5-Bromo-3-(trifluoromethyl)benzene-1,2-diamine|CS-0060174
      157026-19-2

    References

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

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

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