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CS-W001157 4
Total: USD 88.00

3-Methylsulfonylbenzonitrile

  • CAS No. 22821-75-6

  • Cat. No. CS-0130509
  • Purity≥98%
  • MDL No.None

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

3-Methylsulfonylbenzonitrile|CS-0130509

Structure of 22821-75-6

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General Information

  • CAS No. 22821-75-6
  • Cat. No. CS-0130509
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₂S
  • Molecular Weight 181.21
  • Synonym(s) 3-(Methylsulfonyl)benzonitrile
  • SMILES N#CC1=CC=CC(S(=O)(C)=O)=C1

Synthesis

  • Route1
    • 3-(Methylthio)benzonitrile|CS-1160952
      65052-48-4
    • ~89%
    • In-stock
      3-Methylsulfonylbenzonitrile|CS-0130509
      22821-75-6

    References

    • Hanson, Peter; Hendrickx, Ramon A. A. J.; Smith, John R. Lindsay Organic and Biomolecular Chemistry, 2008 , vol. 6, # 6 p. 745 - 761
  • Route2
    • null|null
      94855-95-5
    • ~%
    • In-stock
      3-Methylsulfonylbenzonitrile|CS-0130509
      22821-75-6

    References

    • Journal of the American Chemical Society, , vol. 115, # 17 p. 7584 - 7592
  • Route3

    References

    • Journal of the Chemical Society, , p. 633,639

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   57.93
  • LogP   0.96178
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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