Cas no 14472-28-7 (Benzenesulfonic acid,4-methyl-, aluminum salt (3:1))

Benzenesulfonic acid,4-methyl-, aluminum salt (3:1) structure
14472-28-7 structure
Product Name:Benzenesulfonic acid,4-methyl-, aluminum salt (3:1)
CAS No:14472-28-7
MF:C7H7AlO3S
MW:198.175219774246
CID:146681
PubChem ID:16204972
Update Time:2025-04-19

Benzenesulfonic acid,4-methyl-, aluminum salt (3:1) Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,4-methyl-, aluminum salt (3:1)
    • aluminium p-toluenesulphonate
    • aluminum,4-methylbenzenesulfonate
    • aluminum tris(4-methylbenzenesulfonate)
    • Tris(p-toluenesulfonic acid) aluminum salt
    • Tris(4-methylbenzenesulfonic acid)aluminum salt
    • aluminum;4-methylbenzenesulfonate
    • 14472-28-7
    • EINECS 238-465-9
    • Inchi: 1S/C7H8O3S.Al/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+3/p-1
    • InChI Key: YDQWDYJPBFLALK-UHFFFAOYSA-M
    • SMILES: S(C1C=CC(C)=CC=1)(=O)(=O)[O-].[Al+3]

Computed Properties

  • Exact Mass: 540.01633
  • Monoisotopic Mass: 197.993128
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 193
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 65.6

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 171.6
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