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CS-W001157 4
Total: USD 88.00

4-Bromo-2-nitro-6-(trifluoromethyl)aniline

  • CAS No. 157026-18-1

  • Cat. No. CS-W010025
  • Purity≥96%
  • MDL No.MFCD09835318

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

4-Bromo-2-nitro-6-(trifluoromethyl)aniline|CS-W010025

Structure of 157026-18-1

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General Information

  • CAS No. 157026-18-1
  • Cat. No. CS-W010025
  • Purity ≥96%
  • MDL No. MFCD09835318
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrF₃N₂O₂
  • Molecular Weight 285.02
  • Synonym(s) 4-Brom-2-nitro-6-(trifluormethyl)anilin
  • SMILES NC1=C(C(F)(F)F)C=C(Br)C=C1[N+]([O-])=O

Synthesis

  • Route1
    • N-Acetyl-4-bromo-2-trifluoromethylaniline|CS-0211299
      29124-62-7
    • ~98%
    • In-stock
      4-Bromo-2-nitro-6-(trifluoromethyl)aniline|CS-W010025
      157026-18-1

    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 117-118 ;
  • Route2
    • null|null
      179062-00-1
    • ~96%
    • In-stock
      4-Bromo-2-nitro-6-(trifluoromethyl)aniline|CS-W010025
      157026-18-1

    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 ;
  • Route3
    • 2-Nitro-6-(trifluoromethyl)aniline|CS-W015341
      24821-17-8
    • ~99%
    • In-stock
      4-Bromo-2-nitro-6-(trifluoromethyl)aniline|CS-W010025
      157026-18-1

    References

    • JANSSEN PHARMACEUTICA NV; PLAYER, Mark, R.; PARKS, Daniel, J.; PARSONS, William; MEEGALLA, Sanath, K; ILLIG, Carl, R.; BALLENTINE, Shelley, K. Patent: WO2010/45166 A1, 2010 ; Location in patent: Page/Page column 50 ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.16
  • LogP   2.9583
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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