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p-Nitrotoluene-o-sulfonic acid

  • CAS No. 121-03-9

  • Cat. No. CS-M3300
  • Molecule weight217.20
  • Purity≥95%
  • MDL No.MFCD00024914

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

p-Nitrotoluene-o-sulfonic acid|CS-M3300

Structure of 121-03-9

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General Information

  • CAS No. 121-03-9
  • Cat. No. CS-M3300
  • Purity ≥95%
  • MDL No. MFCD00024914
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₅S
  • Molecular Weight 217.20
  • Synonym(s) 5-Nitro-o-toluenesulfonic acid; NSC 9580; PNTOS; 4-nitrotoluene-2-sulphonic acid
  • SMILES O=S(C1=CC([N+]([O-])=O)=CC=C1C)(O)=O

Synthesis

  • Route1

    References

    • American Home Products Corporation Patent: US6355633 B1, 2002 ;
  • Route2
    • null|null
      99-99-0
    • ~95%
    • p-Nitrotoluene-o-sulfonic acid|CS-M3300
      121-03-9

    References

    • Safaei-Ghomi, Javad; Tajbakhsh, Mahmood; Bamoniri, Abdolhamid; Parach, Ali Molecules, 2003 , vol. 8, # 3 p. 318 - 321
  • Route3
    • null|null
      99-87-6
    • ~%
    • p-Nitrotoluene-o-sulfonic acid|CS-M3300
      121-03-9

    References

    • Annales Academiae Scientiarum Fennicae, Series A, , vol. 10, # 14 p. 2 Chem. Zentralbl., , vol. 92, # I p. 357

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H290-H314
Precautionary Statements : P234-P260-P264-P280-P301+P330+P331-P304+P340-P363-P390-P405-P406-P501

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Computational Chemistry Data

  • TPSA   97.51
  • LogP   1.14992
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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