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CS-W001157 4
Total: USD 88.00

1-Nitro-4-trifluoromethanesulfonylbenzene

  • CAS No. 432-87-1

  • Cat. No. CS-0216453
  • Purity≥97%
  • MDL No.None

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

1-Nitro-4-trifluoromethanesulfonylbenzene|CS-0216453

Structure of 432-87-1

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General Information

  • CAS No. 432-87-1
  • Cat. No. CS-0216453
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₃NO₄S
  • Molecular Weight 255.17
  • Synonym(s) 1-Nitro-4-[(trifluoromethyl)sulfonyl]benzene
  • SMILES C1=C(C=CC(=C1)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Beaumont, Andrew J.; Clark, James H. Journal of Fluorine Chemistry, 1991 , vol. 52, # 3 p. 295 - 300
  • Route2

    References

    • Cullen, Steven C.; Shekhar, Shashank; Nere, Nandkishor K. Journal of Organic Chemistry, 2013 , vol. 78, # 23 p. 12194 - 12201
  • Route3

    References

    • Nose, Masatoshi; Suzuki, Hitomi Synthesis, 2002 , # 8 p. 1065 - 1071

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   77.28
  • LogP   1.8883
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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