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CS-W001157 4
Total: USD 88.00

4-((Trifluoromethyl)sulfonyl)benzonitrile

  • CAS No. 312-21-0

  • Cat. No. CS-0079868
  • Molecule weight235.18
  • Purity≥97%
  • MDL No.MFCD01631631

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

4-((Trifluoromethyl)sulfonyl)benzonitrile|CS-0079868

Structure of 312-21-0

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General Information

  • CAS No. 312-21-0
  • Cat. No. CS-0079868
  • Purity ≥97%
  • MDL No. MFCD01631631
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₃NO₂S
  • Molecular Weight 235.18
  • Synonym(s) 4-(Trifluoromethylsulfonyl)benzonitrile
  • SMILES N#CC1=CC=C(S(=O)(C(F)(F)F)=O)C=C1

Synthesis

  • Route1

    References

    • Tetrahedron, , vol. 69, # 12 p. 2628 - 2632
  • Route2
    • 4-((Trifluoromethyl)thio)benzonitrile|CS-0313211
      332-26-3
    • ~96%
    • 4-((Trifluoromethyl)sulfonyl)benzonitrile|CS-0079868
      312-21-0

    References

    • Tetrahedron Letters, , vol. 35, # 28 p. 4955 - 4958

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H319-H331-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   57.93
  • LogP   1.85178
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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