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CS-W001157 4
Total: USD 88.00

4-Methyl-3-sulfobenzoic acid

  • CAS No. 62454-72-2

  • Cat. No. CS-0366613
  • Purity≥98%
  • MDL No.None

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

4-Methyl-3-sulfobenzoic acid|CS-0366613

Structure of 62454-72-2

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General Information

  • CAS No. 62454-72-2
  • Cat. No. CS-0366613
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₅S
  • Molecular Weight 216.21
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=C(C)C(S(=O)(O)=O)=C1

Synthesis

  • Route1

    References

    • Liang, Wei; Zhong, Zhaoyin; Pan, Zi-Cai; Meng, Qing-Hua; Deng, Ye; Zhang, Kou-Lin Journal of Coordination Chemistry, 2013 , vol. 66, # 16 p. 2802 - 2820
  • Route2
    • 5-Isopropyl-2-methylbenzenethiol|CS-1090739
      3695-37-2
    • ~%
    • 4-Methyl-3-sulfobenzoic acid|CS-0366613
      62454-72-2

    References

    • Flesch Chemische Berichte, 1873 , vol. 6, p. 478 Full Text Show Details Bechler Journal fuer Praktische Chemie (Leipzig), 1873 , vol. <2> 8, p. 168
  • Route3

    References

    • Flesch Chemische Berichte, 1873 , vol. 6, p. 478

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   91.67
  • LogP   0.93992
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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