Cas no 313521-30-1 (N-(4-methylphenyl)-2-nitro-4-(1,1,2,2-tetrafluoroethanesulfonyl)aniline)

N-(4-methylphenyl)-2-nitro-4-(1,1,2,2-tetrafluoroethanesulfonyl)aniline structure
313521-30-1 structure
Product Name:N-(4-methylphenyl)-2-nitro-4-(1,1,2,2-tetrafluoroethanesulfonyl)aniline
CAS No:313521-30-1
MF:C15H12F4N2O4S
MW:392.325396537781
CID:6599826
PubChem ID:5144454
Update Time:2024-01-03

N-(4-methylphenyl)-2-nitro-4-(1,1,2,2-tetrafluoroethanesulfonyl)aniline Chemical and Physical Properties

Names and Identifiers

    • N-(4-methylphenyl)-2-nitro-4-(1,1,2,2-tetrafluoroethanesulfonyl)aniline
    • N-(4-methylphenyl)-2-nitro-4-[(1,1,2,2-tetrafluoroethyl)sulfonyl]aniline
    • Benzenamine, N-(4-methylphenyl)-2-nitro-4-[(1,1,2,2-tetrafluoroethyl)sulfonyl]-
    • SCHEMBL6001938
    • 313521-30-1
    • F1575-0025
    • AKOS003622700
    • IBDIPERALKKVMK-UHFFFAOYSA-N
    • N-(4-methylphenyl)-2-nitro-4-(1,1,2,2-tetrafluoroethylsulfonyl)aniline
    • 2-nitro-4-((1,1,2,2-tetrafluoroethyl)sulfonyl)-N-(p-tolyl)aniline
    • Inchi: 1S/C15H12F4N2O4S/c1-9-2-4-10(5-3-9)20-12-7-6-11(8-13(12)21(22)23)26(24,25)15(18,19)14(16)17/h2-8,14,20H,1H3
    • InChI Key: IBDIPERALKKVMK-UHFFFAOYSA-N
    • SMILES: C1(NC2=CC=C(C)C=C2)=CC=C(S(C(F)(F)C(F)F)(=O)=O)C=C1[N+]([O-])=O

Computed Properties

  • Exact Mass: 392.04539069g/mol
  • Monoisotopic Mass: 392.04539069g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 5
  • Complexity: 598
  • 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: 5.1
  • Topological Polar Surface Area: 100?2

Experimental Properties

  • Density: 1.485±0.06 g/cm3(Predicted)
  • Boiling Point: 492.4±45.0 °C(Predicted)
  • pka: -5.58±0.50(Predicted)

N-(4-methylphenyl)-2-nitro-4-(1,1,2,2-tetrafluoroethanesulfonyl)aniline Pricemore >>

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