Cas no 64085-68-3 (1,2-Benzenediamine, N-[4-[(trifluoromethyl)sulfonyl]phenyl]-)

1,2-Benzenediamine, N-[4-[(trifluoromethyl)sulfonyl]phenyl]- structure
64085-68-3 structure
Product Name:1,2-Benzenediamine, N-[4-[(trifluoromethyl)sulfonyl]phenyl]-
CAS No:64085-68-3
MF:C13H11F3N2O2S
MW:316.298852205276
CID:1669029
Update Time:2024-09-03

1,2-Benzenediamine, N-[4-[(trifluoromethyl)sulfonyl]phenyl]- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenediamine, N-[4-[(trifluoromethyl)sulfonyl]phenyl]-
    • 1,2-Benzenediamine, N1-[4-[(trifluoromethyl)sulfonyl]phenyl]-
    • Inchi: 1S/C13H11F3N2O2S/c14-13(15,16)21(19,20)10-7-5-9(6-8-10)18-12-4-2-1-3-11(12)17/h1-8,18H,17H2
    • InChI Key: PPBFHKPPHLZWRR-UHFFFAOYSA-N
    • SMILES: C1(NC2=CC=C(S(C(F)(F)F)(=O)=O)C=C2)=CC=CC=C1N

Computed Properties

  • Exact Mass: 316.04943

Experimental Properties

  • Density: 1.464±0.06 g/cm3(Predicted)
  • Boiling Point: 431.3±45.0 °C(Predicted)
  • PSA: 72.19
  • pka: 4.51±0.10(Predicted)
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