Cas no 116-50-7 (1,2-Ethanediol,1,2-dibenzenesulfonate)

1,2-Ethanediol,1,2-dibenzenesulfonate structure
116-50-7 structure
Product Name:1,2-Ethanediol,1,2-dibenzenesulfonate
CAS No:116-50-7
MF:C14H14O6S2
MW:342.387362003326
CID:203488
PubChem ID:220449
Update Time:2025-04-19

1,2-Ethanediol,1,2-dibenzenesulfonate Chemical and Physical Properties

Names and Identifiers

    • 1,2-Ethanediol,1,2-dibenzenesulfonate
    • 1,2-Ethanediol, dibenzenesulfonate
    • 2-(benzenesulfonyloxy)ethyl benzenesulfonate
    • 1, dibenzenesulfonate
    • 1,2-Bis-(benzenesulfonoxy)-ethan
    • 1,2-bis-benzenesulfonyloxy-ethane
    • 1,2-Bis-benzolsulfonyloxy-aethan
    • AC1L58TF
    • AC1Q6YCS
    • Aethylenglykol-bis-(benzolsulfonat)
    • Aethylenglykol-bis-benzolsulfonat
    • Aethylenglykol-dibenzolsulfonat
    • CTK4A9825
    • ethane-1,2-diyl dibenzenesulfonate
    • Ethylene glycol, dibenzenesulfonate
    • NSC3220
    • 1,2-Ethanediol dibenzenesulfonate
    • ETHYLENE GLYCOL BIS(BENZENESULFONATE)
    • DTXSID70921894
    • 1,2-Ethanediol, 1,2-dibenzenesulfonate
    • Ethyleneglycol dibenzenesulfonate
    • NSC 3220
    • NS00123202
    • 95EE3KRR9K
    • AKOS024334348
    • SCHEMBL3449015
    • 2-[(phenylsulfonyl)oxy]ethyl benzenesulfonate
    • NSC-3220
    • 116-50-7
    • Inchi: 1S/C14H14O6S2/c15-21(16,13-7-3-1-4-8-13)19-11-12-20-22(17,18)14-9-5-2-6-10-14/h1-10H,11-12H2
    • InChI Key: LLHMWTOYUSTYGU-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1)(=O)(=O)OCCOS(C1C=CC=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 342.02322
  • Monoisotopic Mass: 342.023
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 7
  • Complexity: 467
  • 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: 2.2
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • Density: 1.388
  • Boiling Point: 516.4°Cat760mmHg
  • Flash Point: 266.1°C
  • Refractive Index: 1.578
  • PSA: 86.74
  • LogP: 3.95900

1,2-Ethanediol,1,2-dibenzenesulfonate Related Literature

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