Cas no 1270402-57-7 (1-(4-bromo-2-methylphenyl)-2,2,2-trifluoroethanamine)

1-(4-Bromo-2-methylphenyl)-2,2,2-trifluoroethanamine is a brominated and fluorinated aromatic amine with a trifluoroethylamine substituent. Its structural features, including the electron-withdrawing trifluoromethyl group and bromine atom, make it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The compound’s reactivity allows for selective functionalization, enabling modifications at the aromatic ring or amine group. Its stability under standard conditions ensures reliable handling and storage. The presence of both bromine and trifluoromethyl groups enhances its utility in cross-coupling reactions and as a building block for bioactive molecules. This compound is suited for research applications requiring precise structural control in complex molecular frameworks.
1-(4-bromo-2-methylphenyl)-2,2,2-trifluoroethanamine structure
1270402-57-7 structure
Product Name:1-(4-bromo-2-methylphenyl)-2,2,2-trifluoroethanamine
CAS No:1270402-57-7
MF:C9H9BrF3N
MW:268.073672056198
CID:2133279
Update Time:2025-06-07

1-(4-bromo-2-methylphenyl)-2,2,2-trifluoroethanamine Chemical and Physical Properties

Names and Identifiers

    • 1-(4-bromo-2-methylphenyl)-2,2,2-trifluoroethanamine
    • CID 77127830
    • Benzenemethanamine, 4-bromo-2-methyl-α-(trifluoromethyl)-
    • Inchi: 1S/C9H9BrF3N/c1-5-4-6(10)2-3-7(5)8(14)9(11,12)13/h2-4,8H,14H2,1H3
    • InChI Key: XNZBYQSWSCSVBP-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C)C=1)C(C(F)(F)F)N

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 195
  • Topological Polar Surface Area: 26

Experimental Properties

  • Density: 1.527±0.06 g/cm3(Predicted)
  • Boiling Point: 292.3±40.0 °C(Predicted)
  • pka: 6.12±0.10(Predicted)

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