Cas no 1300-35-2 (Benzenesulfonic acid,hydroxy-, aluminum salt (3:1))

Benzenesulfonic acid,hydroxy-, aluminum salt (3:1) structure
1300-35-2 structure
Product Name:Benzenesulfonic acid,hydroxy-, aluminum salt (3:1)
CAS No:1300-35-2
MF:C18H21AlO12S3
MW:552.528681516647
CID:156035
PubChem ID:168936
Update Time:2025-04-19

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

Names and Identifiers

    • Benzenesulfonic acid,hydroxy-, aluminum salt (3:1)
    • ALUMINUM PHENOL SULFONATE TECH
    • aluminum,benzenesulfonic acid,trihydroxide
    • Aluminumphenolsulfonate
    • Aluminium tris(hydroxybenzenesulphonate)
    • Aluminum sulfocarbolate
    • EINECS 215-083-0
    • Hydroxybenzenesulfonic acid,aluminum salt
    • trihydroxide
    • hydroxy-benzenesulfonicacialuminumsalt(3:1)
    • Benzenesulfonic acid, hydroxy-, aluminum salt
    • Hydroxybenzenesulfonic acid, aluminum salt
    • aluminum;benzenesulfonic acid;trihydroxide
    • 1300-35-2
    • Benzenesulfonic acid, hydroxy-, aluminum salt (3:1)
    • 9U2NX7TC78
    • UNII-9U2NX7TC78
    • ALUMINUM PHENOL SULFONATE
    • Benzenesulfonic acid,hydroxy-,aluminum salt
    • Benzenesulfonicacid,hydroxy-,aluminumsalt(3:1)
    • Inchi: 1S/3C6H6O3S.Al.3H2O/c3*7-10(8,9)6-4-2-1-3-5-6;;;;/h3*1-5H,(H,7,8,9);;3*1H2/q;;;+3;;;/p-3
    • InChI Key: GCVCIVDNHNBFMS-UHFFFAOYSA-K
    • SMILES: S(C1C=CC=CC=1)(=O)(=O)O.S(C1C=CC=CC=1)(=O)(=O)O.S(C1C=CC=CC=1)(=O)(=O)O.[Al+3].[OH-].[OH-].[OH-]

Computed Properties

  • Exact Mass: 548.97800
  • Monoisotopic Mass: 552.001
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 3
  • Complexity: 184
  • Covalently-Bonded Unit Count: 7
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 191A^2

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 257.43000
  • LogP: 4.46880

Benzenesulfonic acid,hydroxy-, aluminum salt (3:1) Security Information

  • Hazard Category Code: 36
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi
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