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CS-W001157 4
Total: USD 88.00

4-Amino-3-methylbenzenesulfonic acid

  • CAS No. 98-33-9

  • Cat. No. CS-0017717
  • Molecule weight187.22
  • Purity≥96%
  • MDL No.MFCD00025198

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

4-Amino-3-methylbenzenesulfonic acid|CS-0017717

Structure of 98-33-9

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General Information

  • CAS No. 98-33-9
  • Cat. No. CS-0017717
  • Purity ≥96%
  • MDL No. MFCD00025198
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉NO₃S
  • Molecular Weight 187.22
  • Synonym(s) 2-Amino-5-toluenesulfonic acid; 2-Methyl-4-sulfoaniline; 2-Methylaniline-4-sulfonic acid; 4-Amino-3-methylbenzenesulfonic acid; 4-Amino-m-toluenesulfonic acid; 6-Aminotoluene-3-sulfonic acid; NSC 7545; o-Toluidine-4-sulfphonicacid
  • SMILES NC1=C(C)C=C(S(=O)(O)=O)C=C1

Synthesis

  • Route1
    • null|null
      50981-12-9
    • null|null
      95-53-4
    • ~88%
    • In-stock
      4-Amino-3-methylbenzenesulfonic acid|CS-0017717
      98-33-9

    References

    • US4968835 A1, ;
  • Route2
    • null|null
      95-53-4
    • ~80%
    • In-stock
      4-Amino-3-methylbenzenesulfonic acid|CS-0017717
      98-33-9

    References

    • Journal of Chemical Research - Part S, , # 8 p. 493 - 494
  • Route3
    • null|null
      88-72-2
    • ~%
    • In-stock
      4-Amino-3-methylbenzenesulfonic acid|CS-0017717
      98-33-9
    • null|null
      95-53-4

    References

    • Journal of the American Chemical Society, , vol. 53, p. 1432,1435, 1440

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H319-H412
Precautionary Statements : P261-P264-P272-P273-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.39
  • LogP   0.82392
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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