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CS-W001157 4
Total: USD 88.00

2-Sulfoterephthalic acid

  • CAS No. 4991-22-4

  • Cat. No. CS-0510926
  • Molecule weight246.19
  • Purity≥98%
  • MDL No.MFCD31923050

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

2-Sulfoterephthalic acid|CS-0510926

Structure of 4991-22-4

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General Information

  • CAS No. 4991-22-4
  • Cat. No. CS-0510926
  • Purity ≥98%
  • MDL No. MFCD31923050
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆O₇S
  • Molecular Weight 246.19
  • Synonym(s) 1,4-Benzenedicarboxylic acid,2-sulfo
  • SMILES O=C(O)C1=CC=C(C(=O)O)C(=C1)S(=O)(=O)O

Synthesis

  • Route1

    References

    • Ascher Justus Liebigs Annalen der Chemie, 1872 , vol. 161, p. 8
  • Route2
    • 4-Methyl-3-sulfobenzoic acid|CS-0366613
      62454-72-2
    • ~%
    • 2-Sulfoterephthalic acid|CS-0510926
      4991-22-4

    References

    • Remsen; Burney American Chemical Journal, 1880 , vol. 2, p. 411 Full Text Show Details Remsen; Kuhara American Chemical Journal, 1880 , vol. 2, p. 414
  • Route3

    References

    • Noyes; Walker American Chemical Journal, 1887 , vol. 9, p. 97 Full Text Show Details Hall; Remsen Chemische Berichte, 1879 , vol. 12, p. 1434 American Chemical Journal, 1880 , vol. 2, p. 58

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   128.97
  • LogP   0.3297
  • H_Acceptors   4
  • H_Donors   3
  • Rotatable_Bonds   3

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