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CS-W001157 4
Total: USD 88.00

2-(Isopropylsulfonyl)aniline

  • CAS No. 76697-50-2

  • Cat. No. CS-M2891
  • Purity≥97%
  • MDL No.MFCD08445603

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

2-(Isopropylsulfonyl)aniline|CS-M2891

Structure of 76697-50-2

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General Information

  • CAS No. 76697-50-2
  • Cat. No. CS-M2891
  • Purity ≥97%
  • MDL No. MFCD08445603
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃NO₂S
  • Molecular Weight 199.27
  • Synonym(s) 2-isopropylsulfonylaniline
  • SMILES NC1=C(S(C(C)C)(=O)=O)C=CC=C1

Synthesis

  • Route1

    References

    • GATEKEEPER PHARMACEUTICALS, INC.; GRAY, Nathanael, S.; ZHOU, Wenjun Patent: WO2011/140338 A1, 2011 ; Location in patent: Page/Page column 46-47 ;
  • Route2
    • 1-(Isopropylsulfanyl)-2-nitrophenyl|CS-0010399
      70415-85-9
    • ~%
    • In-stock
      2-(Isopropylsulfonyl)aniline|CS-M2891
      76697-50-2

    References

    • Helvetica Chimica Acta, , vol. 63, # 6 p. 1412 - 1419
  • Route3
    • 2-Nitrobenzenethiol|CS-0539694
      4875-10-9
    • ~%
    • In-stock
      2-(Isopropylsulfonyl)aniline|CS-M2891
      76697-50-2

    References

    • Helvetica Chimica Acta, , vol. 63, # 6 p. 1412 - 1419

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   60.16
  • LogP   1.4509
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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