Cas no 1261753-88-1 (4-Nitro-2-(trifluoromethoxy)aniline)

4-Nitro-2-(trifluoromethoxy)aniline is a versatile aromatic amine derivative featuring both nitro and trifluoromethoxy functional groups. Its unique structure makes it valuable as an intermediate in pharmaceutical and agrochemical synthesis, particularly for compounds requiring electron-withdrawing substituents. The trifluoromethoxy group enhances lipophilicity and metabolic stability, while the nitro group facilitates further functionalization.
4-Nitro-2-(trifluoromethoxy)aniline structure
1261753-88-1 structure
Product Name:4-Nitro-2-(trifluoromethoxy)aniline
CAS No:1261753-88-1
MF:C7H5F3N2O3
MW:222.121412038803
MDL:MFCD18399915
CID:1026352
PubChem ID:56973585
Update Time:2025-06-17

4-Nitro-2-(trifluoromethoxy)aniline Chemical and Physical Properties

Names and Identifiers

    • 4-Nitro-2-(trifluoromethoxy)aniline
    • 2-trifluoroMethoxy-4-nitroaniline
    • 4-Nitro-2-trifluoromethoxyaniline
    • 2-Amino-5-nitrotrifluoromethoxybenzene
    • WT028
    • AX8217296
    • Z9067
    • ST24043941
    • Benzenamine, 4-nitro-2-(trifluoromethoxy)-
    • SCHEMBL16923592
    • DTXSID20719925
    • MFCD18399915
    • CS-0042015
    • FFDBXRVBNGKCDQ-UHFFFAOYSA-N
    • N10667
    • 4-Nitro-2-trifluoromethoxy-phenylamine
    • DB-346837
    • DS-14757
    • 1261753-88-1
    • AMY17510
    • SB79586
    • AKOS016001427
    • A889612
    • MDL： MFCD18399915
    • Inchi： 1S/C7H5F3N2O3/c8-7(9,10)15-6-3-4(12(13)14)1-2-5(6)11/h1-3H,11H2
    • InChI Key： FFDBXRVBNGKCDQ-UHFFFAOYSA-N
    • SMILES： FC(OC1C=C(C=CC=1N)[N+](=O)[O-])(F)F

Computed Properties

  • Exact Mass: 222.02525
  • Monoisotopic Mass: 222.02522651g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 241
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 81.1

Experimental Properties

  • PSA: 78.39

4-Nitro-2-(trifluoromethoxy)aniline Pricemore >>

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