Cas no 57153-16-9 (Benzenediazonium,4,4'-(1,2-ethenediyl)bis[3-sulfo-, bis(inner salt))

Benzenediazonium,4,4'-(1,2-ethenediyl)bis[3-sulfo-, bis(inner salt) structure
57153-16-9 structure
Product Name:Benzenediazonium,4,4'-(1,2-ethenediyl)bis[3-sulfo-, bis(inner salt)
CAS No:57153-16-9
MF:C14H8N4O6S2
MW:392.366519927979
CID:370677
PubChem ID:92690
Update Time:2025-04-19

Benzenediazonium,4,4'-(1,2-ethenediyl)bis[3-sulfo-, bis(inner salt) Chemical and Physical Properties

Names and Identifiers

    • 5-diazonio-2-[(Z)-2-(4-diazonio-2-sulfonato-phenyl)ethenyl]benzenesulf onate
    • 5-diazonio-2-[(Z)-2-(4-diazonio-2-sulfonatophenyl)ethenyl]benzenesulfonate
    • Benzenediazonium, 4,4'-(1,2-ethenediyl)bis[3-sulfo-, bis(inner salt)
    • DTXSID901158883
    • 57153-16-9
    • Benzenediazonium,4,4'-(1,2-ethenediyl)bis[3-sulfo-, bis(inner salt)
    • Inchi: 1S/C14H8N4O6S2/c15-17-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(18-16)8-14(10)26(22,23)24/h1-8H
    • InChI Key: LENCUDCCCFORSC-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C=CC=1C=CC1C=CC(=CC=1S(=O)(=O)[O-])[N+]#N)[N+]#N)(=O)(=O)[O-]

Computed Properties

  • Exact Mass: 391.98864
  • Monoisotopic Mass: 391.988525
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 2
  • Complexity: 756
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 188
  • XLogP3: 2.8

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 170.7
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