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CS-W001157 4
Total: USD 88.00

4-(Methylsulfonyl)benzene-1,2-diamine

  • CAS No. 21731-57-7

  • Cat. No. CS-0312212
  • Molecule weight186.23
  • Purity≥98%
  • MDL No.MFCD00720917

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

4-(Methylsulfonyl)benzene-1,2-diamine|CS-0312212

Structure of 21731-57-7

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General Information

  • CAS No. 21731-57-7
  • Cat. No. CS-0312212
  • Purity ≥98%
  • MDL No. MFCD00720917
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀N₂O₂S
  • Molecular Weight 186.23
  • Synonym(s) 4-Methanesulfonylbenzene-1,2-diaMine
  • SMILES NC1=CC=C(S(=O)(C)=O)C=C1N

Synthesis

  • Route1
    • null|null
      121444-20-0
    • ~%
    • 4-(Methylsulfonyl)benzene-1,2-diamine|CS-0312212
      21731-57-7

    References

    • WO2012/96813 A1, ; Page/Page column 40 ; WO 2012/096813 A1
  • Route2
    • 4-(Methylsulfonyl)-2-nitroaniline|CS-0046273
      21731-56-6
    • ~85%
    • 4-(Methylsulfonyl)benzene-1,2-diamine|CS-0312212
      21731-57-7

    References

    • Kubo; Oda; Kaneko; Satoh; Nohara Chemical and Pharmaceutical Bulletin, 1990 , vol. 38, # 10 p. 2853 - 2858
  • Route3
    • 4-(Methylsulfonyl)-2-nitroaniline|CS-0046273
      21731-56-6
    • null|null
      54029-50-4
    • ~%
    • 4-(Methylsulfonyl)benzene-1,2-diamine|CS-0312212
      21731-57-7

    References

    • US4072696 A1, ;

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   86.18
  • LogP   0.2545
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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