Cas no 42896-66-2 (N-butyl-2-nitroaniline)

N-Butyl-2-nitroaniline is a nitro-substituted aniline derivative characterized by the presence of a butyl group attached to the nitrogen atom of the aniline ring. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the production of dyes, pigments, and agrochemicals. Its nitro and alkylamine functional groups contribute to its reactivity, enabling its use in coupling reactions and as a precursor for further chemical modifications. The butyl chain enhances solubility in organic solvents, facilitating its application in various synthetic processes. N-Butyl-2-nitroaniline is valued for its stability under standard conditions and its role in constructing complex aromatic structures.
N-butyl-2-nitroaniline structure
N-butyl-2-nitroaniline structure
Product Name:N-butyl-2-nitroaniline
CAS No:42896-66-2
MF:C10H14N2O2
MW:194.230362415314
MDL:MFCD01105092
CID:2110105
PubChem ID:4638962
Update Time:2025-10-14

N-butyl-2-nitroaniline Chemical and Physical Properties

Names and Identifiers

    • N-butyl-2-nitrobenzenamine
    • N-butyl-2-nitroaniline
    • LS-07446
    • MFCD01105092
    • Benzenamine, N-butyl-2-nitro-
    • N-butyl-N-(2-nitrophenyl)amine
    • AKOS005208973
    • SCHEMBL981345
    • 42896-66-2
    • ALBB-023594
    • DA-05908
    • CS-0297706
    • EN300-164356
    • butyl(2-nitrophenyl)amine
    • F1911-3508
    • H34062
    • MDL： MFCD01105092
    • Inchi： 1S/C10H14N2O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14/h4-7,11H,2-3,8H2,1H3
    • InChI Key： GYEZPZDTULJGHH-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC=CC=1NCCCC)=O

Computed Properties

  • Exact Mass: 194.105527694Da
  • Monoisotopic Mass: 194.105527694Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 179
  • 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: 3.4
  • Topological Polar Surface Area: 57.9?2

N-butyl-2-nitroaniline Pricemore >>

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