Cas no 127074-39-9 (Bis-(2-nitrophenyl)phenylamine)

Bis-(2-nitrophenyl)phenylamine structure
127074-39-9 structure
Product Name:Bis-(2-nitrophenyl)phenylamine
CAS No:127074-39-9
MF:C18H13N3O4
MW:335.313524007797
CID:824631
PubChem ID:29974371
Update Time:2025-04-19

Bis-(2-nitrophenyl)phenylamine Chemical and Physical Properties

Names and Identifiers

    • Bis-(2-nitrophenyl)phenylamine
    • LogP
    • 2-nitro-N-(2-nitrophenyl)-N-phenylaniline
    • 2-Nitro-N-(2-nitrophenyl)-N-phenyl-benzenaMine
    • DB-318767
    • Benzenamine, 2-nitro-N-(2-nitrophenyl)-N-phenyl-
    • 127074-39-9
    • DTXSID10652478
    • J-005460
    • AKOS025294245
    • Inchi: 1S/C18H13N3O4/c22-20(23)17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)21(24)25/h1-13H
    • InChI Key: ZVVAXVFTBWYHKV-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC=CC=1N(C1C=CC=CC=1)C1C=CC=CC=1[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 335.09100
  • Monoisotopic Mass: 335.09060590g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 436
  • 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: 4.8
  • Topological Polar Surface Area: 94.9?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Melting Point: 98-99°C
  • Boiling Point: 495.9±30.0 °C at 760 mmHg
  • Flash Point: 253.7±24.6 °C
  • Refractive Index: 1.688
  • Solubility: Acetone, Acetonitrile, DMF, DMSO, Ethyl Acetate
  • PSA: 94.88000
  • LogP: 6.01920
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

Bis-(2-nitrophenyl)phenylamine Security Information

Bis-(2-nitrophenyl)phenylamine Pricemore >>

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