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2-(Methylsulfonyl)benzonitrile

  • CAS No. 89942-56-3

  • Cat. No. CS-0343306
  • Molecule weight181.21
  • Purity≥98%
  • MDL No.MFCD11052333

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

2-(Methylsulfonyl)benzonitrile|CS-0343306

Structure of 89942-56-3

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General Information

  • CAS No. 89942-56-3
  • Cat. No. CS-0343306
  • Purity ≥98%
  • MDL No. MFCD11052333
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₂S
  • Molecular Weight 181.21
  • Synonym(s) 2-Methylsulphonyl benzonitrile
  • SMILES N#CC1=CC=CC=C1S(=O)(C)=O

Synthesis

  • Route1
    • 2-(Methylthio)benzonitrile|CS-0331451
      6609-54-7
    • ~%
    • 2-(Methylsulfonyl)benzonitrile|CS-0343306
      89942-56-3

    References

    • Journal of Organic Chemistry, , vol. 27, p. 2821 - 2828
  • Route2

    References

    • Journal of the Chemical Society, , p. 763,766

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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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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