Cas no 114519-81-2 (2-Naphthalenesulfonicacid, iron(3+) salt (3:1))

2-Naphthalenesulfonicacid, iron(3+) salt (3:1) structure
114519-81-2 structure
Product Name:2-Naphthalenesulfonicacid, iron(3+) salt (3:1)
CAS No:114519-81-2
MF:C30H23FeO10S3
MW:695.537626504898
CID:132425
PubChem ID:57346835
Update Time:2025-04-19

2-Naphthalenesulfonicacid, iron(3+) salt (3:1) Chemical and Physical Properties

Names and Identifiers

    • 2-Naphthalenesulfonicacid, iron(3+) salt (3:1)
    • Iron(III) 2-naphthalenesulfonate hydrate
    • iron(3+),naphthalene-2-sulfonate,hydrate
    • Ferric 2-naphthalenesulfonate
    • 2-Naphthalenesulfonic acid iron(III) salt hydrate
    • naphthalene-2-sulfonic acid iron(iii) salt hydrate
    • 2-Naphthalenesulfonic acid iron(III) salt hydrate, Ferric 2-naphthalenesulfonate
    • Iron(3+) naphthalene-2-sulfonate--water (1/3/1)
    • 114519-81-2
    • DTXSID50721273
    • Inchi： 1S/3C10H8O3S.Fe.H2O/c3*11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;;/h3*1-7H,(H,11,12,13);;1H2/q;;;+3;/p-3
    • InChI Key： RLOADSZCTIDYPF-UHFFFAOYSA-K
    • SMILES： [Fe+3].S(C1C=CC2C=CC=CC=2C=1)(=O)(=O)[O-].S(C1C=CC2C=CC=CC=2C=1)(=O)(=O)[O-].S(C1C=CC2C=CC=CC=2C=1)(=O)(=O)[O-].O

Computed Properties

  • Exact Mass: 694.980271g/mol
  • Monoisotopic Mass: 694.980271g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 0
  • Complexity: 278
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 198?2

2-Naphthalenesulfonicacid, iron(3+) salt (3:1) Security Information

  • Hazard Category Code： 36/37/38
  • Safety Instruction： 26-36
  • Hazardous Material Identification： Xi

2-Naphthalenesulfonicacid, iron(3+) salt (3:1) Related Literature

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