Cas no 2090-08-6 (barium P-toluenesulfonate)

barium P-toluenesulfonate structure
barium P-toluenesulfonate structure
Product Name:barium P-toluenesulfonate
CAS No:2090-08-6
MF:C14H14BaO6S2
MW:479.714357852936
CID:910759
PubChem ID:80303
Update Time:2025-04-19

barium P-toluenesulfonate Chemical and Physical Properties

Names and Identifiers

    • barium P-toluenesulfonate
    • AC1L2Z6J
    • AG-E-53479
    • AR-1H7719
    • barium bis(4-methylbenzenesulfonate)
    • barium di(toluene-4-sulfonate)
    • Barium di(toluene-4-sulphonate)
    • barium(2+)
    • Ba-Salz von p-Toluolsulfonsaeure
    • CTK4E5414
    • EINECS 218-237-5
    • p-toluenesulfonic acid,barium salt
    • toluene-4-sulfonic acid , barium compound
    • Toluol-4-sulfonsaeure, Barium-Verbindung
    • DTXSID80175048
    • 2090-08-6
    • Barium toluene-P-sulfonate
    • SCHEMBL1086837
    • barium(2+);4-methylbenzenesulfonate
    • NSC 147486
    • NS00081827
    • barium p-toluene sulphonate
    • barium(2+); 4-methylbenzenesulfonate
    • barium 4-methylbenzenesulfonate
    • Inchi: 1S/2C7H8O3S.Ba/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2
    • InChI Key: JTRGEBZVNIQMHI-UHFFFAOYSA-L
    • SMILES: [Ba+2].S(C1C=CC(C)=CC=1)(=O)(=O)[O-].S(C1C=CC(C)=CC=1)(=O)(=O)[O-]

Computed Properties

  • Exact Mass: 479.928428g/mol
  • Monoisotopic Mass: 479.928428g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 0
  • Complexity: 193
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 131

Experimental Properties

  • Color/Form: White crystals or powders.
  • Solubility: Soluble in hot water, insoluble in organic solvents

barium P-toluenesulfonate Security Information

  • Hazard Category Code: 20/22
  • Safety Instruction: 28
  • Hazardous Material Identification: Xn
  • Risk Phrases:20/22
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