Cas no 101513-28-4 (Benzonitrile, 5-amino-2-[(4-aminophenyl)sulfonyl]-)

Benzonitrile, 5-amino-2-[(4-aminophenyl)sulfonyl]- structure
101513-28-4 structure
Product Name:Benzonitrile, 5-amino-2-[(4-aminophenyl)sulfonyl]-
CAS No:101513-28-4
MF:C13H11N3O2S
MW:273.310341119766
CID:1129342
Update Time:2024-07-27

Benzonitrile, 5-amino-2-[(4-aminophenyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 5-amino-2-[(4-aminophenyl)sulfonyl]-
    • Inchi: 1S/C13H11N3O2S/c14-8-9-7-11(16)3-6-13(9)19(17,18)12-4-1-10(15)2-5-12/h1-7H,15-16H2
    • InChI Key: LVZAOOJEXUWYCW-UHFFFAOYSA-N
    • SMILES: C(#N)C1=CC(N)=CC=C1S(C1=CC=C(N)C=C1)(=O)=O

Computed Properties

  • Exact Mass: 273.05733

Experimental Properties

  • Density: 1.46±0.1 g/cm3(Predicted)
  • Boiling Point: 602.2±55.0 °C(Predicted)
  • PSA: 109.97
  • pka: 0.66±0.10(Predicted)
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