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CS-W001157 4
Total: USD 88.00

4-(Methylsulfonyl)-2-nitroaniline

  • CAS No. 21731-56-6

  • Cat. No. CS-0046273
  • Purity≥97%
  • MDL No.MFCD00718367

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

4-(Methylsulfonyl)-2-nitroaniline|CS-0046273

Structure of 21731-56-6

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General Information

  • CAS No. 21731-56-6
  • Cat. No. CS-0046273
  • Purity ≥97%
  • MDL No. MFCD00718367
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈N₂O₄S
  • Molecular Weight 216.21
  • Synonym(s) 4-Methanesulfonyl-2-nitroaniline
  • SMILES NC1=CC=C(S(=O)(C)=O)C=C1[N+]([O-])=O

Synthesis

  • Route1

    References

    • WO2009/129625 A1, ; Page/Page column 33 ; WO 2009/129625 A1
  • Route2
    • 2-Chloro-4-(methylsulfonyl)-1-nitrobenzene|CS-0668415
      60854-81-1
    • ~%
    • 4-(Methylsulfonyl)-2-nitroaniline|CS-0046273
      21731-56-6

    References

    • US4034107 A1, ;
  • Route3
    • 4-(Methylthio)-2-nitroaniline|CS-0045813
      23153-09-5
    • ~90%
    • 4-(Methylsulfonyl)-2-nitroaniline|CS-0046273
      21731-56-6

    References

    • Kubo; Oda; Kaneko; Satoh; Nohara Chemical and Pharmaceutical Bulletin, 1990 , vol. 38, # 10 p. 2853 - 2858

Safety Information

Download SDS
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   103.3
  • LogP   0.5805
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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