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CS-W001157 4
Total: USD 88.00

3-Fluoro-4-(methylsulfonyl)benzonitrile

  • CAS No. 185946-05-8

  • Cat. No. CS-0479130
  • Molecule weight199.20
  • Purity≥98%
  • MDL No.MFCD12922838

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

3-Fluoro-4-(methylsulfonyl)benzonitrile|CS-0479130

Structure of 185946-05-8

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General Information

  • CAS No. 185946-05-8
  • Cat. No. CS-0479130
  • Purity ≥98%
  • MDL No. MFCD12922838
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FNO₂S
  • Molecular Weight 199.20
  • Synonym(s) 3-Fluoro-4-(methylsulphonyl)benzonitrile
  • SMILES CS(=O)(=O)C1=C(F)C=C(C=C1)C#N

Synthesis

  • Route1
    • 3-Fluoro-4-(methylthio)benzonitrile|CS-1718074
      185946-04-7
    • ~92%
    • 3-Fluoro-4-(methylsulfonyl)benzonitrile|CS-0479130
      185946-05-8

    References

    • DAIICHI SANKYO COMPANY, LIMITED Patent: US2012/129891 A1, 2012 ; Location in patent: Page/Page column 7 ;
  • Route2

    References

    • DAIICHI SANKYO COMPANY, LIMITED Patent: US2012/129891 A1, 2012 ;

Safety Information

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Computational Chemistry Data

  • TPSA   57.93
  • LogP   1.10088
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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