Cas no 3198-32-1 (Benzenesulfonic acid,ion(1-))

Benzenesulfonic acid,ion(1-) structure
Benzenesulfonic acid,ion(1-) structure
Product Name:Benzenesulfonic acid,ion(1-)
CAS No:3198-32-1
MF:C6H5O3S
MW:157.167100667953
CID:314142
PubChem ID:91526
Update Time:2025-04-19

Benzenesulfonic acid,ion(1-) Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,ion(1-)
    • benzenesulfonate
    • Benzenesulfonate (1-)
    • Benzenesulfonate anion
    • Benzenesulfonate ion
    • Benzenesulfonic acid, ion(1-)
    • benzenesulphonate
    • AKOS022142045
    • 3198-32-1
    • DTXSID4043727
    • benzensulfonate
    • phenylsulfonate
    • benzene sulfonate
    • besylate
    • SRSXLGNVWSONIS-UHFFFAOYSA-M
    • Q27133295
    • benzenemonosulfonate
    • CHEBI:64457
    • Inchi: 1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)/p-1
    • InChI Key: SRSXLGNVWSONIS-UHFFFAOYSA-M
    • SMILES: S(C1C=CC=CC=1)(=O)(=O)[O-]

Computed Properties

  • Exact Mass: 156.99595
  • Monoisotopic Mass: 156.99594019g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 170
  • 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: -0.1
  • Topological Polar Surface Area: 65.6?2

Experimental Properties

  • PSA: 57.2

Benzenesulfonic acid,ion(1-) Production Method

Production Method 1

Reaction Conditions
Reference
Biodegradable neuromuscular blocking agents. Part 6. Stereochemical studies on atracurium and related polyalkylene di-esters
Stenlake, John B.; Waigh, Roger D.; Dewar, George H.; Dhar, Nirmal C.; Hughes, Roy; et al, European Journal of Medicinal Chemistry, 1984, 19(5), 441-50

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium carbonate Solvents: Water ;  pH 7, rt
1.2 overnight, rt
Reference
Process for preparation of atracurium besylate with improved isomeric ratio
Anonymous, IP.com Journal, 2009, ,

Production Method 3

Reaction Conditions
Reference
Cisatracurium besylate. 51W89. Nimbex. Nondepolarizing neuromuscular blocking agent
Mealy, N.; Castaner, J., Drugs of the Future, 1996, 21(1), 14-19

Production Method 4

Reaction Conditions
Reference
Biodegradable neuromuscular blocking agents. Part 6. Stereochemical studies on atracurium and related polyalkylene di-esters
Stenlake, John B.; Waigh, Roger D.; Dewar, George H.; Dhar, Nirmal C.; Hughes, Roy; et al, European Journal of Medicinal Chemistry, 1984, 19(5), 441-50

Production Method 5

Reaction Conditions
Reference
Biodegradable neuromuscular blocking agents. Part 6. Stereochemical studies on atracurium and related polyalkylene di-esters
Stenlake, John B.; Waigh, Roger D.; Dewar, George H.; Dhar, Nirmal C.; Hughes, Roy; et al, European Journal of Medicinal Chemistry, 1984, 19(5), 441-50

Benzenesulfonic acid,ion(1-) Raw materials

Benzenesulfonic acid,ion(1-) Preparation Products

Benzenesulfonic acid,ion(1-) Related Literature

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