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CS-W001157 4
Total: USD 88.00

Phenylmethanesulfonic acid

  • CAS No. 100-87-8

  • Cat. No. CS-0587111
  • Purity≥98%
  • MDL No.None

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

Phenylmethanesulfonic acid|CS-0587111

Structure of 100-87-8

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General Information

  • CAS No. 100-87-8
  • Cat. No. CS-0587111
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈O₃S
  • Molecular Weight 172.20
  • Synonym(s) toluene-alpha-sulphonic acid
  • SMILES C1=CC=C(C=C1)CS(=O)(=O)O

Synthesis

  • Route1
    • null|null
      100-53-8
    • ~94%
    • Phenylmethanesulfonic acid|CS-0587111
      100-87-8

    References

    • Ballistreri, Francesco P.; Tomaselli, Gaetano A.; Toscano, Rosa M. Tetrahedron Letters, 2008 , vol. 49, # 20 p. 3291 - 3293
  • Route2

    References

    • Bahrami, Kiumars; Khodaei, Mohammad M.; Abbasi, Jamshid Synthesis, 2012 , vol. 2012, # 2 p. 316 - 322
  • Route3
    • null|null
      100-44-7
    • ~%
    • Phenylmethanesulfonic acid|CS-0587111
      100-87-8

    References

    • Turkiewicz; Pilat Chemische Berichte, 1938 , vol. 71, p. 284

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.0744
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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