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CS-W001157 4
Total: USD 88.00

4-Bromo-2-nitro-5-(trifluoromethyl)aniline

  • CAS No. 683241-86-3

  • Cat. No. CS-0041158
  • Molecule weight285.02
  • Purity≥97%
  • MDL No.MFCD09263997

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

4-Bromo-2-nitro-5-(trifluoromethyl)aniline|CS-0041158

Structure of 683241-86-3

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General Information

  • CAS No. 683241-86-3
  • Cat. No. CS-0041158
  • Purity ≥97%
  • MDL No. MFCD09263997
  • 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-BROMO-5-(TRIFLUOROMETHYL)-2-NITROBENZENAMINE
  • SMILES NC1=CC(C(F)(F)F)=C(Br)C=C1[N+]([O-])=O

Synthesis

  • Route1
    • N-(4-bromo-2-nitro-5-(trifluoromethyl)phenyl)acetamide|CS-0333984
      157554-76-2
    • ~88%
    • In-stock
      4-Bromo-2-nitro-5-(trifluoromethyl)aniline|CS-0041158
      683241-86-3

    References

    • Ognyanov, Vassil I.; Balan, Chenera; Bannon, Anthony W.; Bo, Yunxin; Dominguez, Celia; Fotsch, Christopher; Gore, Vijay K.; Klionsky, Lana; Ma, Vu V.; Qian, Yi-Xin; Tamir, Rami; Wang, Xianghong; Xi, Ning; Xu, Shimin; Zhu, Dawn; Gavva, Narender R.; Treanor, James J. S.; Norman, Mark H. Journal of Medicinal Chemistry, 2006 , vol. 49, # 12 p. 3719 - 3742
  • Route2
    • N-(4-bromo-2-nitro-5-(trifluoromethyl)phenyl)-2,2,2-trifluoroacetamide|CS-0464042
      156425-51-3
    • ~%
    • In-stock
      4-Bromo-2-nitro-5-(trifluoromethyl)aniline|CS-0041158
      683241-86-3

    References

    • US2007/259936 A1, ; Page/Page column 173 ; US 20070259936 A1
  • Route3
    • 3-Amino-4-nitrobenzitrifluoride|CS-0007572
      402-14-2
    • ~%
    • In-stock
      4-Bromo-2-nitro-5-(trifluoromethyl)aniline|CS-0041158
      683241-86-3

    References

    • US2010/222345 A1, ; Page/Page column 88 ;

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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