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CS-W001157 4
Total: USD 88.00

Octane-1-sulfonic acid

  • CAS No. 3944-72-7

  • Cat. No. CS-0452055
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

Octane-1-sulfonic acid|CS-0452055

Structure of 3944-72-7

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General Information

  • CAS No. 3944-72-7
  • Cat. No. CS-0452055
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₈O₃S
  • Molecular Weight 194.29
  • Synonym(s) 1-Octanesulfonic acid
  • SMILES CCCCCCCCS(=O)(=O)O

Synthesis

  • Route1
    • null|null
      111-88-6
    • ~93%
    • Octane-1-sulfonic acid|CS-0452055
      3944-72-7

    References

    • Bahrami, Kiumars; Khodaei, Mohammad M.; Abbasi, Jamshid Synthesis, 2012 , vol. 2012, # 2 p. 316 - 322
  • Route2
    • null|null
      3547-33-9
    • ~%
    • Octane-1-sulfonic acid|CS-0452055
      3944-72-7

    References

    • Monsanto Chem.Co. Patent: US2547906 , 1948 ;
  • Route3
    • null|null
      7647-01-0
    • null|null
      64-17-5
    • null|null
      5455-54-9
    • ~%
    • Octane-1-sulfonic acid|CS-0452055
      3944-72-7

    References

    • Scott; Lutz Journal of Organic Chemistry, 1954 , vol. 19, p. 830,834

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.2347
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   7

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