Cas no 57374-55-7 ((4-aminophenyl) Benzenesulfonate)

(4-aminophenyl) Benzenesulfonate structure
57374-55-7 structure
Product Name:(4-aminophenyl) Benzenesulfonate
CAS No:57374-55-7
MF:C12H11NO3S
MW:249.285641908646
CID:946914
PubChem ID:262263
Update Time:2025-04-19

(4-aminophenyl) Benzenesulfonate Chemical and Physical Properties

Names and Identifiers

    • (4-aminophenyl) Benzenesulfonate
    • 4-Amino-1-benzolsulfonyloxy-benzol
    • 4-aminophenyl benzenesulfonate
    • 4-Aminophenyl-benzolsulfonat
    • 4-phenylsulphonyloxyaniline
    • AC1Q6XZH
    • AR-1G0965
    • benzenesulfonic acid-(4-amino-phenyl ester)
    • Benzolsulfonsaeure-(4-amino-phenylester)
    • Benzolsulfonsaeure-< 4-amino-phenylester>
    • CTK5A6754
    • NCIOpen2_005992
    • NSC95715
    • SCHEMBL1459166
    • DTXSID20294287
    • NSC-95715
    • 57374-55-7
    • Inchi: 1S/C12H11NO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H,13H2
    • InChI Key: JSSSSGRNRZNMKP-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1)(=O)(=O)OC1C=CC(=CC=1)N

Computed Properties

  • Exact Mass: 249.04603
  • Monoisotopic Mass: 249.046
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 322
  • 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: 2.4
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • Density: 1.344
  • Boiling Point: 448°C at 760 mmHg
  • Flash Point: 224.8°C
  • Refractive Index: 1.626
  • PSA: 69.39
  • LogP: 3.69850
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