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CS-W001157 4
Total: USD 88.00

4-Bromo-3-nitrobenzotrifluoride

  • CAS No. 349-03-1

  • Cat. No. CS-0031434
  • Purity≥98%
  • MDL No.MFCD00014685

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

4-Bromo-3-nitrobenzotrifluoride|CS-0031434

Structure of 349-03-1

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General Information

  • CAS No. 349-03-1
  • Cat. No. CS-0031434
  • Purity ≥98%
  • MDL No. MFCD00014685
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃BrF₃NO₂
  • Molecular Weight 270.00
  • Synonym(s) 1-Bromo-2-nitro-4-(trifluoromethyl)benzene
  • SMILES FC(F)(F)C1=CC=C(C([N+]([O-])=O)=C1)Br

Description

4-Bromo-3-nitrobenzotrifluoride features a trifluoromethyl group flanked by bromo and nitro substituents at adjacent positions, enabling direct functionalization in cross-coupling reactions. This electron-deficient aryl building block integrates readily into pharmaceutical intermediates and advanced materials due to its stability and orthogonal reactivity profile under standard conditions.

Synthesis

  • Route1
    • null|null
      121-17-5
    • ~37%
    • In-stock
      4-Bromo-3-nitrobenzotrifluoride|CS-0031434
      349-03-1

    References

    • Bayer CropScience S.A. Patent: US6635780 B1, 2003 ; Location in patent: Page/Page column 12 ;

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

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   3.3761
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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