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CS-W001157 4
Total: USD 88.00

1-Bromo-5-methyl-2-nitro-4-(trifluoromethyl)benzene

  • CAS No. 871571-25-4

  • Cat. No. CS-0456749
  • Molecule weight284.03
  • Purity≥98%
  • MDL No.None

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

1-Bromo-5-methyl-2-nitro-4-(trifluoromethyl)benzene|CS-0456749

Structure of 871571-25-4

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General Information

  • CAS No. 871571-25-4
  • Cat. No. CS-0456749
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrF₃NO₂
  • Molecular Weight 284.03
  • Synonym(s) 1-Bromo-5-methyl-2-nitro-4-trifluoromethyl-benzene
  • SMILES CC1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])Br

Synthesis

  • Route1
    • 5-Methyl-2-nitro-4-(trifluoromethyl)aniline|CS-0320782
      1813-24-7
    • ~78%
    • 1-Bromo-5-methyl-2-nitro-4-(trifluoromethyl)benzene|CS-0456749
      871571-25-4

    References

    • F.HOFFMANN-LA ROCHE AG Patent: WO2005/123738 A1, 2005 ; Location in patent: Page/Page column 25-26 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   3.68452
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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