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CS-W001157 4
Total: USD 88.00

4-(Methylsulfonyl)-3-(trifluoromethyl)benzonitrile

  • CAS No. 904311-38-2

  • Cat. No. CS-0459418
  • Molecule weight249.21
  • Purity≥98%
  • MDL No.None

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

4-(Methylsulfonyl)-3-(trifluoromethyl)benzonitrile|CS-0459418

Structure of 904311-38-2

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General Information

  • CAS No. 904311-38-2
  • Cat. No. CS-0459418
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₃NO₂S
  • Molecular Weight 249.21
  • Synonym(s) 5-Cyano-2-(methylsulphonyl)benzotrifluoride, 4-Cyano-2-(trifluoromethyl)phenyl methyl sulphone
  • SMILES N#CC1=CC=C(S(=O)(C)=O)C(C(F)(F)F)=C1

Synthesis

  • Route1

    References

    • RESPIRATORIUS AB Patent: US2012/40942 A1, 2012 ; Location in patent: Page/Page column 36-37 ;

Safety Information

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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   57.93
  • LogP   1.98058
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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