Cas no 21300-06-1 (2-Naphthalenesulfonicacid, aluminum salt (3:1))

2-Naphthalenesulfonicacid, aluminum salt (3:1) structure
21300-06-1 structure
Product Name:2-Naphthalenesulfonicacid, aluminum salt (3:1)
CAS No:21300-06-1
MF:C30H21AlO9S3
MW:648.658883810043
CID:290461
PubChem ID:56841503
Update Time:2025-04-19

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

Names and Identifiers

    • 2-Naphthalenesulfonicacid, aluminum salt (3:1)
    • Aluminium tri(2-naphthalenesulfonate)
    • Aluminium tri(naphthalene-2-sulphonate)
    • aluminum naphthalene-2-sulfonate
    • Aluminum tri(naphthalene-2-sulfonate)
    • 21300-06-1
    • NS00083473
    • EINECS 244-323-7
    • Inchi: 1S/3C10H8O3S.Al/c3*11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h3*1-7H,(H,11,12,13);/q;;;+3/p-3
    • InChI Key: WILMEPBBWUELFR-UHFFFAOYSA-K
    • SMILES: 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-].[Al+3]

Computed Properties

  • Exact Mass: 648.01633
  • Monoisotopic Mass: 256.125201
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 346
  • 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: 6.7
  • Topological Polar Surface Area: 0

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 171.6
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